[5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol

C12H14FN3O — CID 19914682

IUPAC[5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)n1nnc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C12H14FN3O/c1-8(2)16-11(7-17)12(14-15-16)9-3-5-10(13)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyURMMSSLJGQISKO-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.16
Rot. Bonds3

About [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol

[5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol (PubChem CID 19914682) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol
PubChem CID19914682
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)n1nnc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C12H14FN3O/c1-8(2)16-11(7-17)12(14-15-16)9-3-5-10(13)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyURMMSSLJGQISKO-UHFFFAOYSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol (CID 19914682) is [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol is CC(C)n1nnc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol?
The InChIKey is URMMSSLJGQISKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(2)16-11(7-17)12(14-15-16)9-3-5-10(13)6-4-9/h3-6,8,17H,7H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol?
[5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol has a molecular weight of 235.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 19914682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).