4-(3,4-dichlorophenyl)triazol-1-amine

C8H6Cl2N4 — CID 20788369

IUPAC4-(3,4-dichlorophenyl)triazol-1-amine
SMILESNn1cc(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C8H6Cl2N4/c9-6-2-1-5(3-7(6)10)8-4-14(11)13-12-8/h1-4H,11H2
InChIKeyOCWVZHIPJWZLCA-UHFFFAOYSA-N
MW229.07 g/mol
LogP1.97
Rot. Bonds1

About 4-(3,4-dichlorophenyl)triazol-1-amine

4-(3,4-dichlorophenyl)triazol-1-amine (PubChem CID 20788369) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)triazol-1-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)triazol-1-amine
PubChem CID20788369
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name4-(3,4-dichlorophenyl)triazol-1-amine
SMILESNn1cc(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C8H6Cl2N4/c9-6-2-1-5(3-7(6)10)8-4-14(11)13-12-8/h1-4H,11H2
InChIKeyOCWVZHIPJWZLCA-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)triazol-1-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)triazol-1-amine (CID 20788369) is 4-(3,4-dichlorophenyl)triazol-1-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)triazol-1-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)triazol-1-amine is Nn1cc(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 4-(3,4-dichlorophenyl)triazol-1-amine?
The InChIKey is OCWVZHIPJWZLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c9-6-2-1-5(3-7(6)10)8-4-14(11)13-12-8/h1-4H,11H2.
What are the key properties of 4-(3,4-dichlorophenyl)triazol-1-amine?
4-(3,4-dichlorophenyl)triazol-1-amine has a molecular weight of 229.07 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)triazol-1-amine is sourced from PubChem (CID 20788369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).