1-(3-propylphenyl)tetrazole

C10H12N4 — CID 130450814

IUPAC1-(3-propylphenyl)tetrazole
SMILESCCCc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H12N4/c1-2-4-9-5-3-6-10(7-9)14-8-11-12-13-14/h3,5-8H,2,4H2,1H3
InChIKeyRFASFOOOPPFITL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.61
Rot. Bonds3

About 1-(3-propylphenyl)tetrazole

1-(3-propylphenyl)tetrazole (PubChem CID 130450814) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(3-propylphenyl)tetrazole.

Molecular Properties

Compound Name1-(3-propylphenyl)tetrazole
PubChem CID130450814
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-(3-propylphenyl)tetrazole
SMILESCCCc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H12N4/c1-2-4-9-5-3-6-10(7-9)14-8-11-12-13-14/h3,5-8H,2,4H2,1H3
InChIKeyRFASFOOOPPFITL-UHFFFAOYSA-N
XLogP1.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-propylphenyl)tetrazole 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-(3-propylphenyl)tetrazole?
The IUPAC name of 1-(3-propylphenyl)tetrazole (CID 130450814) is 1-(3-propylphenyl)tetrazole.
What is the SMILES notation for 1-(3-propylphenyl)tetrazole?
The canonical SMILES for 1-(3-propylphenyl)tetrazole is CCCc1cccc(-n2cnnn2)c1.
What is the InChIKey of 1-(3-propylphenyl)tetrazole?
The InChIKey is RFASFOOOPPFITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-4-9-5-3-6-10(7-9)14-8-11-12-13-14/h3,5-8H,2,4H2,1H3.
What are the key properties of 1-(3-propylphenyl)tetrazole?
1-(3-propylphenyl)tetrazole has a molecular weight of 188.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)tetrazole is sourced from PubChem (CID 130450814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).