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

C14H10Cl2N4 — CID 15499603

IUPAC3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2cccc(Cl)c2)nnc1-c1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2N4/c15-11-5-1-3-9(7-11)13-18-19-14(20(13)17)10-4-2-6-12(16)8-10/h1-8H,17H2
InChIKeySYBUHEVHVVVCGN-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.63
Rot. Bonds2

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

3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine (PubChem CID 15499603) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
PubChem CID15499603
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2cccc(Cl)c2)nnc1-c1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2N4/c15-11-5-1-3-9(7-11)13-18-19-14(20(13)17)10-4-2-6-12(16)8-10/h1-8H,17H2
InChIKeySYBUHEVHVVVCGN-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-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
3-(3-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine
CID 663129
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 78582997
3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 938114
3-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142184
3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992
3-(3-chlorophenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2590665
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
3-(3-chlorophenyl)-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7483735
3-(3-chlorophenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 2575898
6-bromo-3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080167
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 2590747

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine (CID 15499603) is 3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine is Nn1c(-c2cccc(Cl)c2)nnc1-c1cccc(Cl)c1.
What is the InChIKey of 3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine?
The InChIKey is SYBUHEVHVVVCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-11-5-1-3-9(7-11)13-18-19-14(20(13)17)10-4-2-6-12(16)8-10/h1-8H,17H2.
What are the key properties of 3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine?
3,5-bis(3-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(3-chlorophenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 15499603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).