2-(4-chlorophenyl)triazol-4-amine;hydrochloride

C8H8Cl2N4 — CID 166000434

IUPAC2-(4-chlorophenyl)triazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C8H7ClN4.ClH/c9-6-1-3-7(4-2-6)13-11-5-8(10)12-13;/h1-5H,(H2,10,12);1H
InChIKeyOBUWRTVVKVPTKV-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.92
Rot. Bonds1

About 2-(4-chlorophenyl)triazol-4-amine;hydrochloride

2-(4-chlorophenyl)triazol-4-amine;hydrochloride (PubChem CID 166000434) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-(4-chlorophenyl)triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)triazol-4-amine;hydrochloride
PubChem CID166000434
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-(4-chlorophenyl)triazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C8H7ClN4.ClH/c9-6-1-3-7(4-2-6)13-11-5-8(10)12-13;/h1-5H,(H2,10,12);1H
InChIKeyOBUWRTVVKVPTKV-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)triazol-4-amine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)triazol-4-amine;hydrochloride (CID 166000434) is 2-(4-chlorophenyl)triazol-4-amine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)triazol-4-amine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)triazol-4-amine;hydrochloride is Cl.Nc1cnn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)triazol-4-amine;hydrochloride?
The InChIKey is OBUWRTVVKVPTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4.ClH/c9-6-1-3-7(4-2-6)13-11-5-8(10)12-13;/h1-5H,(H2,10,12);1H.
What are the key properties of 2-(4-chlorophenyl)triazol-4-amine;hydrochloride?
2-(4-chlorophenyl)triazol-4-amine;hydrochloride has a molecular weight of 231.09 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)triazol-4-amine;hydrochloride is sourced from PubChem (CID 166000434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).