6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C14H15N7O — CID 100754407

IUPAC6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)NCc2nnc3ccccn23)n1
InChIInChI=1S/C14H15N7O/c1-9-7-10(18-14(15-2)17-9)13(22)16-8-12-20-19-11-5-3-4-6-21(11)12/h3-7H,8H2,1-2H3,(H,16,22)(H,15,17,18)
InChIKeyOJKZSFYPRXPBTJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.80
Rot. Bonds4

About 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 100754407) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID100754407
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)NCc2nnc3ccccn23)n1
InChIInChI=1S/C14H15N7O/c1-9-7-10(18-14(15-2)17-9)13(22)16-8-12-20-19-11-5-3-4-6-21(11)12/h3-7H,8H2,1-2H3,(H,16,22)(H,15,17,18)
InChIKeyOJKZSFYPRXPBTJ-UHFFFAOYSA-N
XLogP0.80
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 100754407) is 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)NCc2nnc3ccccn23)n1.
What is the InChIKey of 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is OJKZSFYPRXPBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-9-7-10(18-14(15-2)17-9)13(22)16-8-12-20-19-11-5-3-4-6-21(11)12/h3-7H,8H2,1-2H3,(H,16,22)(H,15,17,18).
What are the key properties of 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 100754407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).