N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide

C13H16N4O2 — CID 110475495

IUPACN-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C13H16N4O2/c1-13(2,9-4-6-10(19-3)7-5-9)15-12(18)11-8-14-17-16-11/h4-8H,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyQDCHMGFFXIHFBZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.48
Rot. Bonds4

About N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide

N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide (PubChem CID 110475495) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide
PubChem CID110475495
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C13H16N4O2/c1-13(2,9-4-6-10(19-3)7-5-9)15-12(18)11-8-14-17-16-11/h4-8H,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyQDCHMGFFXIHFBZ-UHFFFAOYSA-N
XLogP1.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide
CID 110475476
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 112733298
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide
CID 110467375
N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide
CID 110444797
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2H-triazole-4-carboxamide
CID 107868064
N-[3-(bromomethyl)pentan-3-yl]-2H-triazole-4-carboxamide
CID 114315320
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 47335197

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide (CID 110475495) is N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide is COc1ccc(C(C)(C)NC(=O)c2cn[nH]n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is QDCHMGFFXIHFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2,9-4-6-10(19-3)7-5-9)15-12(18)11-8-14-17-16-11/h4-8H,1-3H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide?
N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 110475495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).