2-(3-chloro-5-fluorophenyl)triazol-4-amine

C8H6ClFN4 — CID 107371267

IUPAC2-(3-chloro-5-fluorophenyl)triazol-4-amine
SMILESNc1cnn(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C8H6ClFN4/c9-5-1-6(10)3-7(2-5)14-12-4-8(11)13-14/h1-4H,(H2,11,13)
InChIKeyHNDNZMWLBMPBPR-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.64
Rot. Bonds1

About 2-(3-chloro-5-fluorophenyl)triazol-4-amine

2-(3-chloro-5-fluorophenyl)triazol-4-amine (PubChem CID 107371267) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)triazol-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)triazol-4-amine
PubChem CID107371267
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name2-(3-chloro-5-fluorophenyl)triazol-4-amine
SMILESNc1cnn(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C8H6ClFN4/c9-5-1-6(10)3-7(2-5)14-12-4-8(11)13-14/h1-4H,(H2,11,13)
InChIKeyHNDNZMWLBMPBPR-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenyl)triazol-4-amine
CID 82399873
1-(3-chloro-5-fluorophenyl)pyrazol-3-amine
CID 107371299
2-(2-bromo-4,6-difluorophenyl)triazol-4-amine
CID 116799260
2-[2-(aminomethyl)-4-chlorophenyl]triazol-4-amine
CID 90233804
1-chloro-3,5-difluorobenzene
CID 159732874
3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
CID 107371241
3-(3-chloro-5-fluorophenyl)triazole-4-carboxylic acid
CID 107370229
2-(4-tert-butylphenyl)triazol-4-amine
CID 116799226
2-(3-methoxyphenyl)triazol-4-amine
CID 82404083
9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine
CID 107368239
3-(3-chloro-5-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 107368309
1-(3-chloro-5-fluorophenyl)-4-(chloromethyl)triazole
CID 107370651

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)triazol-4-amine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)triazol-4-amine (CID 107371267) is 2-(3-chloro-5-fluorophenyl)triazol-4-amine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)triazol-4-amine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)triazol-4-amine is Nc1cnn(-c2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)triazol-4-amine?
The InChIKey is HNDNZMWLBMPBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c9-5-1-6(10)3-7(2-5)14-12-4-8(11)13-14/h1-4H,(H2,11,13).
What are the key properties of 2-(3-chloro-5-fluorophenyl)triazol-4-amine?
2-(3-chloro-5-fluorophenyl)triazol-4-amine has a molecular weight of 212.62 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)triazol-4-amine is sourced from PubChem (CID 107371267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).