N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide

C32H24N6O2 — CID 18184865

IUPACN'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C32H24N6O2/c39-30(35-36-31(40)26-16-15-22-9-7-8-12-25(22)21-26)24-17-19-27(20-18-24)33-32-34-29(23-10-3-1-4-11-23)38(37-32)28-13-5-2-6-14-28/h1-21H,(H,33,37)(H,35,39)(H,36,40)
InChIKeyVRHFTSCXYCWFNE-UHFFFAOYSA-N
MW524.58 g/mol
LogP5.91
Rot. Bonds6

About N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide

N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide (PubChem CID 18184865) has the molecular formula C32H24N6O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide
PubChem CID18184865
Molecular FormulaC32H24N6O2
Molecular Weight524.58 g/mol
Exact Mass524.20
IUPAC NameN'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C32H24N6O2/c39-30(35-36-31(40)26-16-15-22-9-7-8-12-25(22)21-26)24-17-19-27(20-18-24)33-32-34-29(23-10-3-1-4-11-23)38(37-32)28-13-5-2-6-14-28/h1-21H,(H,33,37)(H,35,39)(H,36,40)
InChIKeyVRHFTSCXYCWFNE-UHFFFAOYSA-N
XLogP5.91
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide
CID 18184881
N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
CID 18184877
4-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-N-methylbenzamide
CID 134953915
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
N'-(benzenesulfonyl)-4-[[5-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
CID 18184850
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide?
The IUPAC name of N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide (CID 18184865) is N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide?
The canonical SMILES for N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide is O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide?
The InChIKey is VRHFTSCXYCWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6O2/c39-30(35-36-31(40)26-16-15-22-9-7-8-12-25(22)21-26)24-17-19-27(20-18-24)33-32-34-29(23-10-3-1-4-11-23)38(37-32)28-13-5-2-6-14-28/h1-21H,(H,33,37)(H,35,39)(H,36,40).
What are the key properties of N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide?
N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide has a molecular weight of 524.58 g/mol, XLogP of 5.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 18184865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).