[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine

C13H13N7 — CID 62471223

IUPAC[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(Cn2nnc(-c3ccccc3)n2)ccn1
InChIInChI=1S/C13H13N7/c14-16-12-8-10(6-7-15-12)9-20-18-13(17-19-20)11-4-2-1-3-5-11/h1-8H,9,14H2,(H,15,16)
InChIKeyIXZPSULGJGWJKS-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.07
Rot. Bonds4

About [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine

[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine (PubChem CID 62471223) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine
PubChem CID62471223
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(Cn2nnc(-c3ccccc3)n2)ccn1
InChIInChI=1S/C13H13N7/c14-16-12-8-10(6-7-15-12)9-20-18-13(17-19-20)11-4-2-1-3-5-11/h1-8H,9,14H2,(H,15,16)
InChIKeyIXZPSULGJGWJKS-UHFFFAOYSA-N
XLogP1.07
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine (CID 62471223) is [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine is NNc1cc(Cn2nnc(-c3ccccc3)n2)ccn1.
What is the InChIKey of [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine?
The InChIKey is IXZPSULGJGWJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c14-16-12-8-10(6-7-15-12)9-20-18-13(17-19-20)11-4-2-1-3-5-11/h1-8H,9,14H2,(H,15,16).
What are the key properties of [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine?
[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine has a molecular weight of 267.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62471223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).