N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide

C14H16N4O2 — CID 13386045

IUPACN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide
SMILESCC1NC(=O)NN=C1c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H16N4O2/c1-8-12(17-18-14(20)15-8)9-4-6-11(7-5-9)16-13(19)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,16,19)(H2,15,18,20)
InChIKeyYAHCTQVWAJPJLH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.44
Rot. Bonds3

About N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide

N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide (PubChem CID 13386045) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide
PubChem CID13386045
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide
SMILESCC1NC(=O)NN=C1c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H16N4O2/c1-8-12(17-18-14(20)15-8)9-4-6-11(7-5-9)16-13(19)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,16,19)(H2,15,18,20)
InChIKeyYAHCTQVWAJPJLH-UHFFFAOYSA-N
XLogP1.44
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide (CID 13386045) is N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide is CC1NC(=O)NN=C1c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is YAHCTQVWAJPJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-12(17-18-14(20)15-8)9-4-6-11(7-5-9)16-13(19)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,16,19)(H2,15,18,20).
What are the key properties of N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide?
N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 13386045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).