(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol

C12H15FN4O — CID 114686729

IUPAC(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN4O/c1-2-5-17-11(7-15-16-17)12(18)9-6-8(13)3-4-10(9)14/h3-4,6-7,12,18H,2,5,14H2,1H3
InChIKeyBLQABQYOZHSJJN-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.49
Rot. Bonds4

About (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol

(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 114686729) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
PubChem CID114686729
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN4O/c1-2-5-17-11(7-15-16-17)12(18)9-6-8(13)3-4-10(9)14/h3-4,6-7,12,18H,2,5,14H2,1H3
InChIKeyBLQABQYOZHSJJN-UHFFFAOYSA-N
XLogP1.49
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114213050
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 115834072
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol (CID 114686729) is (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1cc(F)ccc1N.
What is the InChIKey of (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is BLQABQYOZHSJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-2-5-17-11(7-15-16-17)12(18)9-6-8(13)3-4-10(9)14/h3-4,6-7,12,18H,2,5,14H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol?
(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 250.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114686729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).