N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide

C14H16N4O2 — CID 112733298

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cn[nH]n2)C2CC2)cc1
InChIInChI=1S/C14H16N4O2/c1-20-11-6-4-10(5-7-11)13(9-2-3-9)16-14(19)12-8-15-18-17-12/h4-9,13H,2-3H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyBHWFYBDLDQGUPW-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.69
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide (PubChem CID 112733298) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
PubChem CID112733298
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cn[nH]n2)C2CC2)cc1
InChIInChI=1S/C14H16N4O2/c1-20-11-6-4-10(5-7-11)13(9-2-3-9)16-14(19)12-8-15-18-17-12/h4-9,13H,2-3H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyBHWFYBDLDQGUPW-UHFFFAOYSA-N
XLogP1.69
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136845482
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 51929771
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 42925486
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25388515
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide (CID 112733298) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide is COc1ccc(C(NC(=O)c2cn[nH]n2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is BHWFYBDLDQGUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-11-6-4-10(5-7-11)13(9-2-3-9)16-14(19)12-8-15-18-17-12/h4-9,13H,2-3H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).