[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine

C8H7ClFN5 — CID 62737602

IUPAC[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1-c1cc(Cl)ccc1F
InChIInChI=1S/C8H7ClFN5/c9-5-1-2-6(10)7(3-5)15-8(4-11)12-13-14-15/h1-3H,4,11H2
InChIKeyCHEPTQHNIGEGMZ-UHFFFAOYSA-N
MW227.63 g/mol
LogP0.91
Rot. Bonds2

About [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine

[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine (PubChem CID 62737602) has the molecular formula C8H7ClFN5 and a molecular weight of 227.63 g/mol. Its IUPAC name is [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
PubChem CID62737602
Molecular FormulaC8H7ClFN5
Molecular Weight227.63 g/mol
Exact Mass227.04
IUPAC Name[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1-c1cc(Cl)ccc1F
InChIInChI=1S/C8H7ClFN5/c9-5-1-2-6(10)7(3-5)15-8(4-11)12-13-14-15/h1-3H,4,11H2
InChIKeyCHEPTQHNIGEGMZ-UHFFFAOYSA-N
XLogP0.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine 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-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine (CID 62737602) is [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine is NCc1nnnn1-c1cc(Cl)ccc1F.
What is the InChIKey of [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine?
The InChIKey is CHEPTQHNIGEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN5/c9-5-1-2-6(10)7(3-5)15-8(4-11)12-13-14-15/h1-3H,4,11H2.
What are the key properties of [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine?
[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine has a molecular weight of 227.63 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62737602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).