[1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol

C15H20FN3O — CID 82203898

IUPAC[1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol
SMILESCCC(CC)c1c(CO)nnn1Cc1ccccc1F
InChIInChI=1S/C15H20FN3O/c1-3-11(4-2)15-14(10-20)17-18-19(15)9-12-7-5-6-8-13(12)16/h5-8,11,20H,3-4,9-10H2,1-2H3
InChIKeyNZQLJYSKVJKCNI-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.86
Rot. Bonds6

About [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol

[1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol (PubChem CID 82203898) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol
PubChem CID82203898
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name[1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol
SMILESCCC(CC)c1c(CO)nnn1Cc1ccccc1F
InChIInChI=1S/C15H20FN3O/c1-3-11(4-2)15-14(10-20)17-18-19(15)9-12-7-5-6-8-13(12)16/h5-8,11,20H,3-4,9-10H2,1-2H3
InChIKeyNZQLJYSKVJKCNI-UHFFFAOYSA-N
XLogP2.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazole-4-carbaldehyde
CID 82203900
1-[(2-fluorophenyl)methyl]-5-propyltriazole-4-carboxylic acid
CID 56828774
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375
[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
CID 82204046
N-ethyl-1-[(2-fluorophenyl)methyl]-N-methyltriazolo[4,5-c]pyridin-4-amine
CID 15213446
[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400172
1-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)triazole-4-carbaldehyde
CID 82203906
[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 21334457
2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206438
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686714
1-[(2-fluorophenyl)methyl]-5-(2-methoxyphenyl)triazole-4-carbaldehyde
CID 94943529
5-butyl-1-[(2-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 82203891

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol?
The IUPAC name of [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol (CID 82203898) is [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol is CCC(CC)c1c(CO)nnn1Cc1ccccc1F.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol?
The InChIKey is NZQLJYSKVJKCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-11(4-2)15-14(10-20)17-18-19(15)9-12-7-5-6-8-13(12)16/h5-8,11,20H,3-4,9-10H2,1-2H3.
What are the key properties of [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol?
[1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol has a molecular weight of 277.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazol-4-yl]methanol is sourced from PubChem (CID 82203898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).