N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C14H15N5O2 — CID 4887374

IUPACN-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)n3ncnc3N2)cc1C
InChIInChI=1S/C14H15N5O2/c1-8-3-4-10(5-9(8)2)17-13(21)11-6-12(20)19-14(18-11)15-7-16-19/h3-5,7,11H,6H2,1-2H3,(H,17,21)(H,15,16,18)
InChIKeyQOHYXAYPOATJTA-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.36
Rot. Bonds2

About N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 4887374) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID4887374
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)n3ncnc3N2)cc1C
InChIInChI=1S/C14H15N5O2/c1-8-3-4-10(5-9(8)2)17-13(21)11-6-12(20)19-14(18-11)15-7-16-19/h3-5,7,11H,6H2,1-2H3,(H,17,21)(H,15,16,18)
InChIKeyQOHYXAYPOATJTA-UHFFFAOYSA-N
XLogP1.36
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 4887374) is N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)C2CC(=O)n3ncnc3N2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is QOHYXAYPOATJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-3-4-10(5-9(8)2)17-13(21)11-6-12(20)19-14(18-11)15-7-16-19/h3-5,7,11H,6H2,1-2H3,(H,17,21)(H,15,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 4887374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).