1-(2-chloro-5-methylphenyl)triazol-4-amine

C9H9ClN4 — CID 107627716

IUPAC1-(2-chloro-5-methylphenyl)triazol-4-amine
SMILESCc1ccc(Cl)c(-n2cc(N)nn2)c1
InChIInChI=1S/C9H9ClN4/c1-6-2-3-7(10)8(4-6)14-5-9(11)12-13-14/h2-5H,11H2,1H3
InChIKeyMCNZSBPJSDEBKC-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.81
Rot. Bonds1

About 1-(2-chloro-5-methylphenyl)triazol-4-amine

1-(2-chloro-5-methylphenyl)triazol-4-amine (PubChem CID 107627716) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)triazol-4-amine
PubChem CID107627716
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name1-(2-chloro-5-methylphenyl)triazol-4-amine
SMILESCc1ccc(Cl)c(-n2cc(N)nn2)c1
InChIInChI=1S/C9H9ClN4/c1-6-2-3-7(10)8(4-6)14-5-9(11)12-13-14/h2-5H,11H2,1H3
InChIKeyMCNZSBPJSDEBKC-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-iodophenyl)triazol-4-amine
CID 130499667
4-(2-bromoethyl)-1-(2-chloro-5-methylphenyl)triazole
CID 107627384
1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
CID 107627899
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
1-(2-chloro-5-methylphenyl)imidazol-2-amine
CID 107628162
1-(2-chloro-5-methylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 107626269
1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
CID 107629535
2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
CID 107638746
1-(2-iodophenyl)triazol-4-amine
CID 79502430
4-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
CID 107638770
1-(2-bromo-5-methoxyphenyl)triazol-4-amine
CID 79508207
1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine
CID 79501030

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)triazol-4-amine?
The IUPAC name of 1-(2-chloro-5-methylphenyl)triazol-4-amine (CID 107627716) is 1-(2-chloro-5-methylphenyl)triazol-4-amine.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)triazol-4-amine?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)triazol-4-amine is Cc1ccc(Cl)c(-n2cc(N)nn2)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)triazol-4-amine?
The InChIKey is MCNZSBPJSDEBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-2-3-7(10)8(4-6)14-5-9(11)12-13-14/h2-5H,11H2,1H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)triazol-4-amine?
1-(2-chloro-5-methylphenyl)triazol-4-amine has a molecular weight of 208.65 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)triazol-4-amine is sourced from PubChem (CID 107627716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).