5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile

C11H12N6 — CID 103468425

IUPAC5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCn1ccnc1CNc1ncc(C#N)cc1N
InChIInChI=1S/C11H12N6/c1-17-3-2-14-10(17)7-16-11-9(13)4-8(5-12)6-15-11/h2-4,6H,7,13H2,1H3,(H,15,16)
InChIKeyQNIMAGZYXMPSCK-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.88
Rot. Bonds3

About 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile

5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 103468425) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID103468425
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCn1ccnc1CNc1ncc(C#N)cc1N
InChIInChI=1S/C11H12N6/c1-17-3-2-14-10(17)7-16-11-9(13)4-8(5-12)6-15-11/h2-4,6H,7,13H2,1H3,(H,15,16)
InChIKeyQNIMAGZYXMPSCK-UHFFFAOYSA-N
XLogP0.88
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
CID 63239072
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
4-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 104711813
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
4-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 79175761
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468530

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile (CID 103468425) is 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile is Cn1ccnc1CNc1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is QNIMAGZYXMPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-17-3-2-14-10(17)7-16-11-9(13)4-8(5-12)6-15-11/h2-4,6H,7,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).