2-(5-phenyltetrazol-2-yl)pentanehydrazide

C12H16N6O — CID 83048205

IUPAC2-(5-phenyltetrazol-2-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H16N6O/c1-2-6-10(12(19)14-13)18-16-11(15-17-18)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,13H2,1H3,(H,14,19)
InChIKeySHEPELBSCZPKIV-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.67
Rot. Bonds5

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

2-(5-phenyltetrazol-2-yl)pentanehydrazide (PubChem CID 83048205) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)pentanehydrazide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)pentanehydrazide
PubChem CID83048205
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-(5-phenyltetrazol-2-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H16N6O/c1-2-6-10(12(19)14-13)18-16-11(15-17-18)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,13H2,1H3,(H,14,19)
InChIKeySHEPELBSCZPKIV-UHFFFAOYSA-N
XLogP0.67
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.67
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'}

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Related Compounds

2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
CID 83048207
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-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
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
(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol
CID 102325180
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119487364
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)pentanehydrazide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)pentanehydrazide (CID 83048205) is 2-(5-phenyltetrazol-2-yl)pentanehydrazide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)pentanehydrazide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)pentanehydrazide is CCCC(C(=O)NN)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)pentanehydrazide?
The InChIKey is SHEPELBSCZPKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-6-10(12(19)14-13)18-16-11(15-17-18)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,13H2,1H3,(H,14,19).
What are the key properties of 2-(5-phenyltetrazol-2-yl)pentanehydrazide?
2-(5-phenyltetrazol-2-yl)pentanehydrazide has a molecular weight of 260.30 g/mol, XLogP of 0.67, 5 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)pentanehydrazide is sourced from PubChem (CID 83048205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).