4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile

C10H10N6 — CID 62924484

IUPAC4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCn1cnnc1CNc1ccnc(C#N)c1
InChIInChI=1S/C10H10N6/c1-16-7-14-15-10(16)6-13-8-2-3-12-9(4-8)5-11/h2-4,7H,6H2,1H3,(H,12,13)
InChIKeyDCZYTUNKALJHEW-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.69
Rot. Bonds3

About 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile

4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 62924484) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
PubChem CID62924484
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCn1cnnc1CNc1ccnc(C#N)c1
InChIInChI=1S/C10H10N6/c1-16-7-14-15-10(16)6-13-8-2-3-12-9(4-8)5-11/h2-4,7H,6H2,1H3,(H,12,13)
InChIKeyDCZYTUNKALJHEW-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

5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 115487649
2-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,4-diamine
CID 62118995
4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
CID 62925693
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
CID 62117304
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
CID 62924814
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 115969661
4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile
CID 61004801
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62179357
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile (CID 62924484) is 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile is Cn1cnnc1CNc1ccnc(C#N)c1.
What is the InChIKey of 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is DCZYTUNKALJHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-16-7-14-15-10(16)6-13-8-2-3-12-9(4-8)5-11/h2-4,7H,6H2,1H3,(H,12,13).
What are the key properties of 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile?
4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-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 4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62924484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).