1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid

C20H18N4O4 — CID 167804672

IUPAC1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC(O)C1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O4/c25-15-11-20(12-15,19(27)28)22-18(26)16-21-17(13-7-3-1-4-8-13)24(23-16)14-9-5-2-6-10-14/h1-10,15,25H,11-12H2,(H,22,26)(H,27,28)
InChIKeyFMAGEMVUQDARKT-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.64
Rot. Bonds5

About 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid

1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 167804672) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID167804672
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC(O)C1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O4/c25-15-11-20(12-15,19(27)28)22-18(26)16-21-17(13-7-3-1-4-8-13)24(23-16)14-9-5-2-6-10-14/h1-10,15,25H,11-12H2,(H,22,26)(H,27,28)
InChIKeyFMAGEMVUQDARKT-UHFFFAOYSA-N
XLogP1.64
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
N-(3-cyanothiolan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60512430
N-(2-hydroxy-2-phenylethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112771643
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119455718
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 46666855
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide
CID 46652364
(3S)-3-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 71240288

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid (CID 167804672) is 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CC(O)C1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is FMAGEMVUQDARKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-15-11-20(12-15,19(27)28)22-18(26)16-21-17(13-7-3-1-4-8-13)24(23-16)14-9-5-2-6-10-14/h1-10,15,25H,11-12H2,(H,22,26)(H,27,28).
What are the key properties of 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid?
1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 378.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 167804672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).