3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine

C13H10FN5 — CID 82370185

IUPAC3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
SMILESNc1c(-c2ccncc2)nnn1-c1ccccc1F
InChIInChI=1S/C13H10FN5/c14-10-3-1-2-4-11(10)19-13(15)12(17-18-19)9-5-7-16-8-6-9/h1-8H,15H2
InChIKeyMXZHDQUUSVWAHF-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.05
Rot. Bonds2

About 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine

3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine (PubChem CID 82370185) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
PubChem CID82370185
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
SMILESNc1c(-c2ccncc2)nnn1-c1ccccc1F
InChIInChI=1S/C13H10FN5/c14-10-3-1-2-4-11(10)19-13(15)12(17-18-19)9-5-7-16-8-6-9/h1-8H,15H2
InChIKeyMXZHDQUUSVWAHF-UHFFFAOYSA-N
XLogP2.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine?
The IUPAC name of 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine (CID 82370185) is 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine?
The canonical SMILES for 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine is Nc1c(-c2ccncc2)nnn1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine?
The InChIKey is MXZHDQUUSVWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-10-3-1-2-4-11(10)19-13(15)12(17-18-19)9-5-7-16-8-6-9/h1-8H,15H2.
What are the key properties of 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine?
3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine has a molecular weight of 255.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine is sourced from PubChem (CID 82370185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).