N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C13H12N6O2 — CID 64511828

IUPACN-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H12N6O2/c1-18(7-10-15-8-16-17-10)12(20)9-6-14-11-4-2-3-5-19(11)13(9)21/h2-6,8H,7H2,1H3,(H,15,16,17)
InChIKeyICWYBVMSRQJNLV-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.08
Rot. Bonds3

About N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 64511828) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID64511828
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H12N6O2/c1-18(7-10-15-8-16-17-10)12(20)9-6-14-11-4-2-3-5-19(11)13(9)21/h2-6,8H,7H2,1H3,(H,15,16,17)
InChIKeyICWYBVMSRQJNLV-UHFFFAOYSA-N
XLogP0.08
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 64511828) is N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ICWYBVMSRQJNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-18(7-10-15-8-16-17-10)12(20)9-6-14-11-4-2-3-5-19(11)13(9)21/h2-6,8H,7H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 64511828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).