2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C13H18N6O — CID 80685934

IUPAC2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ncn(C)n2)c(NN)c1
InChIInChI=1S/C13H18N6O/c1-9-3-4-10(11(7-9)17-14)13(20)15-6-5-12-16-8-19(2)18-12/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,20)
InChIKeyPHGFTVZTCDCJSH-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.38
Rot. Bonds5

About 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 80685934) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID80685934
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ncn(C)n2)c(NN)c1
InChIInChI=1S/C13H18N6O/c1-9-3-4-10(11(7-9)17-14)13(20)15-6-5-12-16-8-19(2)18-12/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,20)
InChIKeyPHGFTVZTCDCJSH-UHFFFAOYSA-N
XLogP0.38
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide 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

2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80686371
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80686591
4-amino-2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80681439
2,4-dibromo-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 113345328
3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 105388504
3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685923
2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80680803
N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
CID 106340952
2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 114188316
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615174
2-(4-aminophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80680888

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 80685934) is 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2ncn(C)n2)c(NN)c1.
What is the InChIKey of 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is PHGFTVZTCDCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-3-4-10(11(7-9)17-14)13(20)15-6-5-12-16-8-19(2)18-12/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,20).
What are the key properties of 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 274.33 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 80685934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).