N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

C17H14N6O4 — CID 24979161

IUPACN'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H14N6O4/c1-11-2-4-12(5-3-11)16(24)20-21-17(25)13-6-7-14(15(8-13)23(26)27)22-10-18-9-19-22/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyDEPPXRCMOPYRMS-UHFFFAOYSA-N
MW366.34 g/mol
LogP1.56
Rot. Bonds4

About N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide (PubChem CID 24979161) has the molecular formula C17H14N6O4 and a molecular weight of 366.34 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide
PubChem CID24979161
Molecular FormulaC17H14N6O4
Molecular Weight366.34 g/mol
Exact Mass366.11
IUPAC NameN'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H14N6O4/c1-11-2-4-12(5-3-11)16(24)20-21-17(25)13-6-7-14(15(8-13)23(26)27)22-10-18-9-19-22/h2-10H,1H3,(H,20,24)(H,21,25)
InChIKeyDEPPXRCMOPYRMS-UHFFFAOYSA-N
XLogP1.56
TPSA132.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-Nitro-4-(1,2,4-triazol-4-yl)phenyl]-phenylmethanone
CID 2517571
N-(4-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 1473795
N-(3-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 3818974
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24687403
N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24687410
N-(4-acetylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24818094
N-[2-(2-ethylanilino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24979122
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24979155
3-nitro-N-(3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 24979920
N-(5-chloro-2-fluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24980967
N-[2-(cyclohexen-1-yl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24981900
N-methyl-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24982270

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide (CID 24979161) is N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide?
The InChIKey is DEPPXRCMOPYRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O4/c1-11-2-4-12(5-3-11)16(24)20-21-17(25)13-6-7-14(15(8-13)23(26)27)22-10-18-9-19-22/h2-10H,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide?
N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide has a molecular weight of 366.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide is sourced from PubChem (CID 24979161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).