4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine

C14H10Cl2N4 — CID 12500471

IUPAC4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine
SMILESNc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N4/c15-10-3-1-9(2-4-10)13-18-19-14(17)20(13)12-7-5-11(16)6-8-12/h1-8H,(H2,17,19)
InChIKeyRFLMOJRCNQHALW-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.82
Rot. Bonds2

About 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine

4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine (PubChem CID 12500471) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine
PubChem CID12500471
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine
SMILESNc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N4/c15-10-3-1-9(2-4-10)13-18-19-14(17)20(13)12-7-5-11(16)6-8-12/h1-8H,(H2,17,19)
InChIKeyRFLMOJRCNQHALW-UHFFFAOYSA-N
XLogP3.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine (CID 12500471) is 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine is Nc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine?
The InChIKey is RFLMOJRCNQHALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-10-3-1-9(2-4-10)13-18-19-14(17)20(13)12-7-5-11(16)6-8-12/h1-8H,(H2,17,19).
What are the key properties of 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine?
4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine has a molecular weight of 305.17 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 12500471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).