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

C9H9ClN4 — CID 35754866

IUPAC5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN4/c1-14-8(12-13-9(14)11)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,13)
InChIKeyUMNADBZCQQGENF-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.72
Rot. Bonds1

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

5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine (PubChem CID 35754866) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine
PubChem CID35754866
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN4/c1-14-8(12-13-9(14)11)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,13)
InChIKeyUMNADBZCQQGENF-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine
CID 35754869
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 2998345
3-(4-chlorophenyl)-5-(3-chloropropylsulfanyl)-4-methyl-1,2,4-triazole
CID 91757520
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24886930
(2R)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 2603221
3-(4-chlorophenyl)-4-methyl-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazole
CID 2551331
3-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 3136390
3-(chloromethyl)-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole
CID 115398022
3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1129848
6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 51279678
3-(bromomethyl)-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole
CID 115399465
3-(4-chlorophenyl)-4-methyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole
CID 7210417

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine (CID 35754866) is 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine is Cn1c(N)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is UMNADBZCQQGENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-14-8(12-13-9(14)11)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,13).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine?
5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 208.65 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 35754866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).