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

C14H11FN4 — CID 82370249

IUPAC3-(3-fluorophenyl)-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1-c1cccc(F)c1
InChIInChI=1S/C14H11FN4/c15-11-7-4-8-12(9-11)19-14(16)13(17-18-19)10-5-2-1-3-6-10/h1-9H,16H2
InChIKeyDCGHVBRIKQWCCC-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.66
Rot. Bonds2

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

3-(3-fluorophenyl)-5-phenyltriazol-4-amine (PubChem CID 82370249) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-phenyltriazol-4-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-phenyltriazol-4-amine
PubChem CID82370249
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name3-(3-fluorophenyl)-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1-c1cccc(F)c1
InChIInChI=1S/C14H11FN4/c15-11-7-4-8-12(9-11)19-14(16)13(17-18-19)10-5-2-1-3-6-10/h1-9H,16H2
InChIKeyDCGHVBRIKQWCCC-UHFFFAOYSA-N
XLogP2.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370255
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
5-(3-fluorophenyl)-3-propan-2-yltriazol-4-amine
CID 105475482
3-(2,6-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-amine
CID 82370384
4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol
CID 135693348

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-phenyltriazol-4-amine?
The IUPAC name of 3-(3-fluorophenyl)-5-phenyltriazol-4-amine (CID 82370249) is 3-(3-fluorophenyl)-5-phenyltriazol-4-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-phenyltriazol-4-amine?
The canonical SMILES for 3-(3-fluorophenyl)-5-phenyltriazol-4-amine is Nc1c(-c2ccccc2)nnn1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-phenyltriazol-4-amine?
The InChIKey is DCGHVBRIKQWCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-11-7-4-8-12(9-11)19-14(16)13(17-18-19)10-5-2-1-3-6-10/h1-9H,16H2.
What are the key properties of 3-(3-fluorophenyl)-5-phenyltriazol-4-amine?
3-(3-fluorophenyl)-5-phenyltriazol-4-amine has a molecular weight of 254.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-phenyltriazol-4-amine is sourced from PubChem (CID 82370249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).