2-(2-chlorophenyl)-1,2,4-triazol-3-amine

C8H7ClN4 — CID 62679811

IUPAC2-(2-chlorophenyl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1-c1ccccc1Cl
InChIInChI=1S/C8H7ClN4/c9-6-3-1-2-4-7(6)13-8(10)11-5-12-13/h1-5H,(H2,10,11,12)
InChIKeyKJCHYTLXVUANBC-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.50
Rot. Bonds1

About 2-(2-chlorophenyl)-1,2,4-triazol-3-amine

2-(2-chlorophenyl)-1,2,4-triazol-3-amine (PubChem CID 62679811) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,2,4-triazol-3-amine
PubChem CID62679811
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name2-(2-chlorophenyl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1-c1ccccc1Cl
InChIInChI=1S/C8H7ClN4/c9-6-3-1-2-4-7(6)13-8(10)11-5-12-13/h1-5H,(H2,10,11,12)
InChIKeyKJCHYTLXVUANBC-UHFFFAOYSA-N
XLogP1.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-(2-chlorophenyl)-1,2,4-triazol-3-amine (CID 62679811) is 2-(2-chlorophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(2-chlorophenyl)-1,2,4-triazol-3-amine is Nc1ncnn1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1,2,4-triazol-3-amine?
The InChIKey is KJCHYTLXVUANBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-6-3-1-2-4-7(6)13-8(10)11-5-12-13/h1-5H,(H2,10,11,12).
What are the key properties of 2-(2-chlorophenyl)-1,2,4-triazol-3-amine?
2-(2-chlorophenyl)-1,2,4-triazol-3-amine has a molecular weight of 194.63 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 62679811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).