2-(5-phenyltetrazol-2-yl)butanehydrazide

C11H14N6O — CID 63573923

IUPAC2-(5-phenyltetrazol-2-yl)butanehydrazide
SMILESCCC(C(=O)NN)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H14N6O/c1-2-9(11(18)13-12)17-15-10(14-16-17)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3,(H,13,18)
InChIKeyKHGFGUITEDELMJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.28
Rot. Bonds4

About 2-(5-phenyltetrazol-2-yl)butanehydrazide

2-(5-phenyltetrazol-2-yl)butanehydrazide (PubChem CID 63573923) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)butanehydrazide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)butanehydrazide
PubChem CID63573923
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(5-phenyltetrazol-2-yl)butanehydrazide
SMILESCCC(C(=O)NN)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H14N6O/c1-2-9(11(18)13-12)17-15-10(14-16-17)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3,(H,13,18)
InChIKeyKHGFGUITEDELMJ-UHFFFAOYSA-N
XLogP0.28
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(5-phenyltetrazol-2-yl)butanehydrazide 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-(5-phenyltetrazol-2-yl)pentanehydrazide
CID 83048205
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119644028
methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
CID 83048207
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 134023226

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)butanehydrazide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)butanehydrazide (CID 63573923) is 2-(5-phenyltetrazol-2-yl)butanehydrazide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)butanehydrazide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)butanehydrazide is CCC(C(=O)NN)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)butanehydrazide?
The InChIKey is KHGFGUITEDELMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-9(11(18)13-12)17-15-10(14-16-17)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3,(H,13,18).
What are the key properties of 2-(5-phenyltetrazol-2-yl)butanehydrazide?
2-(5-phenyltetrazol-2-yl)butanehydrazide has a molecular weight of 246.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)butanehydrazide is sourced from PubChem (CID 63573923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).