N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide

C19H17N5O2 — CID 2448076

IUPACN'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H17N5O2/c25-18(14-11-12-14)21-22-19(26)16-20-17(13-7-3-1-4-8-13)24(23-16)15-9-5-2-6-10-15/h1-10,14H,11-12H2,(H,21,25)(H,22,26)
InChIKeyIBBFLTXWBCQALY-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.11
Rot. Bonds4

About N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide

N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 2448076) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
PubChem CID2448076
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H17N5O2/c25-18(14-11-12-14)21-22-19(26)16-20-17(13-7-3-1-4-8-13)24(23-16)15-9-5-2-6-10-15/h1-10,14H,11-12H2,(H,21,25)(H,22,26)
InChIKeyIBBFLTXWBCQALY-UHFFFAOYSA-N
XLogP2.11
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
CID 46612326
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 55576324
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide
CID 46652364
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 46666855
N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 46569141
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119455718
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
1-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-3-hydroxycyclobutane-1-carboxylic acid
CID 167804672
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (CID 2448076) is N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is O=C(NNC(=O)C1CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is IBBFLTXWBCQALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-18(14-11-12-14)21-22-19(26)16-20-17(13-7-3-1-4-8-13)24(23-16)15-9-5-2-6-10-15/h1-10,14H,11-12H2,(H,21,25)(H,22,26).
What are the key properties of N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 347.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 2448076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).