N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

C14H16N4O — CID 42656767

IUPACN-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NC2CC2)nc1C
InChIInChI=1S/C14H16N4O/c1-9-5-3-4-6-12(9)18-10(2)15-13(17-18)14(19)16-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,19)
InChIKeyIYKXZDFPDLCEQM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.78
Rot. Bonds3

About N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42656767) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42656767
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NC2CC2)nc1C
InChIInChI=1S/C14H16N4O/c1-9-5-3-4-6-12(9)18-10(2)15-13(17-18)14(19)16-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,19)
InChIKeyIYKXZDFPDLCEQM-UHFFFAOYSA-N
XLogP1.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42656767) is N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NC2CC2)nc1C.
What is the InChIKey of N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is IYKXZDFPDLCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-5-3-4-6-12(9)18-10(2)15-13(17-18)14(19)16-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42656767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).