5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H13N7O — CID 724863

IUPAC5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NN=Cc3ccncc3)nc2n1
InChIInChI=1S/C14H13N7O/c1-9-7-10(2)21-14(17-9)18-12(20-21)13(22)19-16-8-11-3-5-15-6-4-11/h3-8H,1-2H3,(H,19,22)
InChIKeyJVDCRVUACQDYKF-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.90
Rot. Bonds3

About 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 724863) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID724863
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NN=Cc3ccncc3)nc2n1
InChIInChI=1S/C14H13N7O/c1-9-7-10(2)21-14(17-9)18-12(20-21)13(22)19-16-8-11-3-5-15-6-4-11/h3-8H,1-2H3,(H,19,22)
InChIKeyJVDCRVUACQDYKF-UHFFFAOYSA-N
XLogP0.90
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 724863) is 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NN=Cc3ccncc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JVDCRVUACQDYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-9-7-10(2)21-14(17-9)18-12(20-21)13(22)19-16-8-11-3-5-15-6-4-11/h3-8H,1-2H3,(H,19,22).
What are the key properties of 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(pyridin-4-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 724863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).