2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide

C18H17N5O2 — CID 24513990

IUPAC2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)cc2)c(C)c1
InChIInChI=1S/C18H17N5O2/c1-12-3-8-16(13(2)9-12)18(25)22-21-17(24)14-4-6-15(7-5-14)23-11-19-10-20-23/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyNJOMEAGAMQQKKT-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.96
Rot. Bonds3

About 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide

2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide (PubChem CID 24513990) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide
PubChem CID24513990
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)cc2)c(C)c1
InChIInChI=1S/C18H17N5O2/c1-12-3-8-16(13(2)9-12)18(25)22-21-17(24)14-4-6-15(7-5-14)23-11-19-10-20-23/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyNJOMEAGAMQQKKT-UHFFFAOYSA-N
XLogP1.96
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.96
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'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 26782232
2-methyl-3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoic acid
CID 119237737
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 51192314
3-[[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]benzoic acid
CID 146087508
N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide
CID 43069979
N-(2-methyl-5-nitrophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192107
(2R)-2-[(4-methylphenyl)methyl]-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoic acid
CID 97324634
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 99162356
N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 32987584
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide (CID 24513990) is 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide?
The InChIKey is NJOMEAGAMQQKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-3-8-16(13(2)9-12)18(25)22-21-17(24)14-4-6-15(7-5-14)23-11-19-10-20-23/h3-11H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide?
2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide has a molecular weight of 335.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 24513990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).