1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide

C14H16N4O2 — CID 91938588

IUPAC1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
SMILESCOc1c(C(=O)NC2CC2)nnn1Cc1ccccc1
InChIInChI=1S/C14H16N4O2/c1-20-14-12(13(19)15-11-7-8-11)16-17-18(14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)
InChIKeyUOXQJKVFIUVMEH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.23
Rot. Bonds5

About 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide

1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide (PubChem CID 91938588) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
PubChem CID91938588
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
SMILESCOc1c(C(=O)NC2CC2)nnn1Cc1ccccc1
InChIInChI=1S/C14H16N4O2/c1-20-14-12(13(19)15-11-7-8-11)16-17-18(14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)
InChIKeyUOXQJKVFIUVMEH-UHFFFAOYSA-N
XLogP1.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide
CID 102551779
1-benzyl-5-methoxy-N-[3-(3-methoxyphenyl)propyl]triazole-4-carboxamide
CID 171132829
(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
CID 91938610
(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91938600
1-[(2-chlorophenyl)methyl]-5-methoxy-N-propan-2-yltriazole-4-carboxamide
CID 91938638
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 91938542
1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
CID 146962352
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone
CID 91938550
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide (CID 91938588) is 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide is COc1c(C(=O)NC2CC2)nnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide?
The InChIKey is UOXQJKVFIUVMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-14-12(13(19)15-11-7-8-11)16-17-18(14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19).
What are the key properties of 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide?
1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide is sourced from PubChem (CID 91938588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).