1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine

C9H8ClFN4 — CID 107531705

IUPAC1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1-c1cc(F)ccc1Cl
InChIInChI=1S/C9H8ClFN4/c1-5-9(12)13-14-15(5)8-4-6(11)2-3-7(8)10/h2-4H,12H2,1H3
InChIKeyWEQZLUFVZKCVKH-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.95
Rot. Bonds1

About 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine

1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine (PubChem CID 107531705) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine
PubChem CID107531705
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1-c1cc(F)ccc1Cl
InChIInChI=1S/C9H8ClFN4/c1-5-9(12)13-14-15(5)8-4-6(11)2-3-7(8)10/h2-4H,12H2,1H3
InChIKeyWEQZLUFVZKCVKH-UHFFFAOYSA-N
XLogP1.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-5-methyltriazol-4-amine
CID 79501941
1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine
CID 107531709
1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine
CID 79501030
5-[1-(2-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107531057
1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine
CID 79508411
1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine
CID 79500698
1-[(4-chloro-3-fluorophenyl)methyl]-5-methyltriazol-4-amine
CID 107889101
1-[1-(2-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]ethanone
CID 43671079
1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107532030
1-(5-chloro-2-methyl-4-nitrophenyl)-5-methyltriazol-4-amine
CID 113439032
5-tert-butyl-1-(4-fluoro-2-methylphenyl)triazol-4-amine
CID 79502838
1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107530955

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine (CID 107531705) is 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine is Cc1c(N)nnn1-c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine?
The InChIKey is WEQZLUFVZKCVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c1-5-9(12)13-14-15(5)8-4-6(11)2-3-7(8)10/h2-4H,12H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine?
1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine has a molecular weight of 226.64 g/mol, XLogP of 1.95, 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-fluorophenyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 107531705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).