1-pentan-2-yltetrazole

C6H12N4 — CID 54365782

IUPAC1-pentan-2-yltetrazole
SMILESCCCC(C)n1cnnn1
InChIInChI=1S/C6H12N4/c1-3-4-6(2)10-5-7-8-9-10/h5-6H,3-4H2,1-2H3
InChIKeyIKVBICPFXSTGEM-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.03
Rot. Bonds3

About 1-pentan-2-yltetrazole

1-pentan-2-yltetrazole (PubChem CID 54365782) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-pentan-2-yltetrazole.

Molecular Properties

Compound Name1-pentan-2-yltetrazole
PubChem CID54365782
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-pentan-2-yltetrazole
SMILESCCCC(C)n1cnnn1
InChIInChI=1S/C6H12N4/c1-3-4-6(2)10-5-7-8-9-10/h5-6H,3-4H2,1-2H3
InChIKeyIKVBICPFXSTGEM-UHFFFAOYSA-N
XLogP1.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-pentan-2-yltetrazole 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 1-pentan-2-yltetrazole?
The IUPAC name of 1-pentan-2-yltetrazole (CID 54365782) is 1-pentan-2-yltetrazole.
What is the SMILES notation for 1-pentan-2-yltetrazole?
The canonical SMILES for 1-pentan-2-yltetrazole is CCCC(C)n1cnnn1.
What is the InChIKey of 1-pentan-2-yltetrazole?
The InChIKey is IKVBICPFXSTGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-4-6(2)10-5-7-8-9-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-pentan-2-yltetrazole?
1-pentan-2-yltetrazole has a molecular weight of 140.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yltetrazole is sourced from PubChem (CID 54365782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).