5-(4-fluorophenyl)-3-methyltriazol-4-amine

C9H9FN4 — CID 83637005

IUPAC5-(4-fluorophenyl)-3-methyltriazol-4-amine
SMILESCn1nnc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C9H9FN4/c1-14-9(11)8(12-13-14)6-2-4-7(10)5-3-6/h2-5H,11H2,1H3
InChIKeyUJYYTDGRYXMFBW-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.20
Rot. Bonds1

About 5-(4-fluorophenyl)-3-methyltriazol-4-amine

5-(4-fluorophenyl)-3-methyltriazol-4-amine (PubChem CID 83637005) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyltriazol-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyltriazol-4-amine
PubChem CID83637005
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name5-(4-fluorophenyl)-3-methyltriazol-4-amine
SMILESCn1nnc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C9H9FN4/c1-14-9(11)8(12-13-14)6-2-4-7(10)5-3-6/h2-5H,11H2,1H3
InChIKeyUJYYTDGRYXMFBW-UHFFFAOYSA-N
XLogP1.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-3-methyltriazol-4-amine
CID 83638320
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole
CID 176723263
3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370384
2-bromo-1-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethanone
CID 88531319
3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
CID 82370210
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220284
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 82207947

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyltriazol-4-amine?
The IUPAC name of 5-(4-fluorophenyl)-3-methyltriazol-4-amine (CID 83637005) is 5-(4-fluorophenyl)-3-methyltriazol-4-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyltriazol-4-amine?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyltriazol-4-amine is Cn1nnc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyltriazol-4-amine?
The InChIKey is UJYYTDGRYXMFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-14-9(11)8(12-13-14)6-2-4-7(10)5-3-6/h2-5H,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-methyltriazol-4-amine?
5-(4-fluorophenyl)-3-methyltriazol-4-amine has a molecular weight of 192.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyltriazol-4-amine is sourced from PubChem (CID 83637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).