[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride

C8H9Cl2N5 — CID 71779054

IUPAC[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClN5.ClH/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14;/h1-4H,5,10H2;1H
InChIKeyVRNZHPGLOTXPEV-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.20
Rot. Bonds2

About [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride

[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride (PubChem CID 71779054) has the molecular formula C8H9Cl2N5 and a molecular weight of 246.10 g/mol. Its IUPAC name is [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
PubChem CID71779054
Molecular FormulaC8H9Cl2N5
Molecular Weight246.10 g/mol
Exact Mass245.02
IUPAC Name[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClN5.ClH/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14;/h1-4H,5,10H2;1H
InChIKeyVRNZHPGLOTXPEV-UHFFFAOYSA-N
XLogP1.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
CID 62737602
[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
CID 62761189
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228170
[1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 72716172
[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine
CID 82227869
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
[1-(4-chlorophenyl)tetrazol-5-yl]hydrazine
CID 131053219
3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
CID 82228072
[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 62735905

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride (CID 71779054) is [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride is Cl.NCc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride?
The InChIKey is VRNZHPGLOTXPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5.ClH/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14;/h1-4H,5,10H2;1H.
What are the key properties of [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride?
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride has a molecular weight of 246.10 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 71779054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).