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

C14H18N4O — CID 42656766

IUPAC5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NC(C)C)nc1C
InChIInChI=1S/C14H18N4O/c1-9(2)15-14(19)13-16-11(4)18(17-13)12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H,15,19)
InChIKeyGMCJTMKZMGIQPF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.02
Rot. Bonds3

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

5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 42656766) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID42656766
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NC(C)C)nc1C
InChIInChI=1S/C14H18N4O/c1-9(2)15-14(19)13-16-11(4)18(17-13)12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H,15,19)
InChIKeyGMCJTMKZMGIQPF-UHFFFAOYSA-N
XLogP2.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 42656766) is 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NC(C)C)nc1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is GMCJTMKZMGIQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)15-14(19)13-16-11(4)18(17-13)12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H,15,19).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42656766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).