3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile

C10H10N6 — CID 63239072

IUPAC3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
SMILESCn1ccnc1CNc1nccnc1C#N
InChIInChI=1S/C10H10N6/c1-16-5-4-13-9(16)7-15-10-8(6-11)12-2-3-14-10/h2-5H,7H2,1H3,(H,14,15)
InChIKeyMVEZQYDQNQUSCY-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.69
Rot. Bonds3

About 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile

3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile (PubChem CID 63239072) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
PubChem CID63239072
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
SMILESCn1ccnc1CNc1nccnc1C#N
InChIInChI=1S/C10H10N6/c1-16-5-4-13-9(16)7-15-10-8(6-11)12-2-3-14-10/h2-5H,7H2,1H3,(H,14,15)
InChIKeyMVEZQYDQNQUSCY-UHFFFAOYSA-N
XLogP0.69
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile
CID 75483901
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile
CID 63757340
2-methyl-6-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 114002963
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 55058112
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895253
3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]pyrazine-2-carbonitrile
CID 133283250
5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829925
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile (CID 63239072) is 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile is Cn1ccnc1CNc1nccnc1C#N.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is MVEZQYDQNQUSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-16-5-4-13-9(16)7-15-10-8(6-11)12-2-3-14-10/h2-5H,7H2,1H3,(H,14,15).
What are the key properties of 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile?
3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 63239072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).