CC1=C(C=NN1C)CN2CCN(CC2)C3=NC=CN=C3Cl
Name: 2-chloro-3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILES: CC1=C(C=NN1C)CN2CCN(CC2)C3=NC=CN=C3Cl

Molecular Processing

Molecular formula
C14H19ClN6
Molecular weight
306.8
Exact mass
306.136
XLogP
1.49
TPSA
50.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
82.48

Supplementary Information

InChIKey: ZIRRTBQLMSEYCW-UHFFFAOYSA-N
Synonyme
SCHEMBL122998ZIRRTBQLMSEYCW-UHFFFAOYSA-N3'-chloro-4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl
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