4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile

C11H12N6 — CID 54884747

IUPAC4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2ncn[nH]2)n1
InChIInChI=1S/C11H12N6/c1-7-3-8(2)16-11(9(7)4-12)13-5-10-14-6-15-17-10/h3,6H,5H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyDVWXGLGKLNXNDV-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.30
Rot. Bonds3

About 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile

4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile (PubChem CID 54884747) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile
PubChem CID54884747
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2ncn[nH]2)n1
InChIInChI=1S/C11H12N6/c1-7-3-8(2)16-11(9(7)4-12)13-5-10-14-6-15-17-10/h3,6H,5H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyDVWXGLGKLNXNDV-UHFFFAOYSA-N
XLogP1.30
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 81052464
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 55026390
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193105
5-methyl-2-(1H-1,2,4-triazol-5-ylmethylamino)benzonitrile
CID 107931259
2-[(3-aminophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 62500425
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 103744395

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile (CID 54884747) is 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCc2ncn[nH]2)n1.
What is the InChIKey of 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile?
The InChIKey is DVWXGLGKLNXNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-7-3-8(2)16-11(9(7)4-12)13-5-10-14-6-15-17-10/h3,6H,5H2,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile?
4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 54884747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).