CC1=NC=CC(=C1)C#CC2=CN=C(N2)C
CAS: 761426-39-5
名称: 2-methyl-4-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]pyridine
SMILES: CC1=NC=CC(=C1)C#CC2=CN=C(N2)C

Molecular Processing

Molecular formula
C12H11N3
Molecular weight
197.24
Exact mass
197.0953
XLogP
1.82
TPSA
41.57
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
58.28

Supplementary Information

InChIKey: HHWDTGBZYAEZJM-UHFFFAOYSA-N
同義語
761426-39-52-Methyl-4-(2-methyl-1H-imidazol-4-ylethynyl)-pyridineSCHEMBL2010490DTXSID60471035HHWDTGBZYAEZJM-UHFFFAOYSA-N2-Methyl-4-[(2-methyl-1H-imidazol-5-yl)ethynyl]pyridine
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