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

C14H10Cl2N4 — CID 2768010

IUPAC3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N4/c15-11-5-1-9(2-6-11)13-18-19-14(20(13)17)10-3-7-12(16)8-4-10/h1-8H,17H2
InChIKeyMNSLOKYTBABVMK-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.63
Rot. Bonds2

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

3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine (PubChem CID 2768010) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine
PubChem CID2768010
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N4/c15-11-5-1-9(2-6-11)13-18-19-14(20(13)17)10-3-7-12(16)8-4-10/h1-8H,17H2
InChIKeyMNSLOKYTBABVMK-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
3-(4-Chlorophenyl)-5-(methylthio)-4H-1,2,4-triazole
CID 449127
1H-1,2,4-Triazole-1-carbothioamide, 5-amino-3-(4-chlorophenyl)-N-methyl-
CID 3074943
1,2,4-Thiadiazole, 3,5-bis(4-chlorophenyl)-
CID 199390
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9998483
3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 20724912
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
5-(2-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 5064432
Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 644851

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine (CID 2768010) is 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine is Nn1c(-c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine?
The InChIKey is MNSLOKYTBABVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-11-5-1-9(2-6-11)13-18-19-14(20(13)17)10-3-7-12(16)8-4-10/h1-8H,17H2.
What are the key properties of 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine?
3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine has a molecular weight of 305.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 2768010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).