C1=CN=C2C(=N1)C(=O)NC(=N2)N
CAS: 2236-60-4
Name: 2-amino-3H-pteridin-4-one
SMILES: C1=CN=C2C(=N1)C(=O)NC(=N2)N

Molecular Processing

Molecular formula
C6H5N5O
Molecular weight
163.14
Exact mass
163.0494
XLogP
-0.7
TPSA
97.55
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.37

Supplementary Information

InChIKey: HNXQXTQTPAJEJL-UHFFFAOYSA-N
Synonyme
Pterin2236-60-42-Amino-4-hydroxypteridinePteridoxamine4-Oxopterin2-Amino-4-pteridone2-Amino-4(1H)-pteridinone2-amino-3H-pteridin-4-one85MA24E1NHNSC-11540NSC-18696NSC-170929DTXSID401768942-amino-3,4-dihydropteridin-4-oneRefChem:464305DTXCID3099385CHEBI:26374CHEBI:73184218-799-1Pterine2-aminopteridin-4-ol2-aminopteridin-4(3H)-one2-Amino-1H-pteridin-4-one2-Amino-4-oxopteridine2-Amino-4(3H)-pteridinone2-AMINO-4-HYDROXY-PTERIDINE2-aminopteridin-4(1H)-one2-Amino-4-pteridinolQuinonoid dihydropterin, 2-amino-MFCD01456481
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