3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol

C12H12FN3O — CID 105492376

IUPAC3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol
SMILESOCCCc1nncc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O/c13-10-5-3-9(4-6-10)11-8-14-16-12(15-11)2-1-7-17/h3-6,8,17H,1-2,7H2
InChIKeyGJFHJRNMSOPSBZ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.60
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol

3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol (PubChem CID 105492376) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol
PubChem CID105492376
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol
SMILESOCCCc1nncc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O/c13-10-5-3-9(4-6-10)11-8-14-16-12(15-11)2-1-7-17/h3-6,8,17H,1-2,7H2
InChIKeyGJFHJRNMSOPSBZ-UHFFFAOYSA-N
XLogP1.60
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol
CID 136699767
2-[5-(2-fluorophenyl)-1,2,4-triazin-3-yl]ethanol
CID 105473582
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-methylethanamine
CID 105490793
5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 25275557
3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine
CID 11346121
3,5-bis(4-fluorophenyl)pyridazine
CID 11277172
5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
CID 11336787
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
5-[2-(4-fluorophenyl)-3-pyridinyl]pentan-1-ol
CID 22368196
N-(1,3-benzothiazol-2-ylmethyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 45247421
3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3,4-dimethyl-2,3-dihydro-1H-1,2,4-triazin-5-yl]propan-1-ol
CID 126690068
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol (CID 105492376) is 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol is OCCCc1nncc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol?
The InChIKey is GJFHJRNMSOPSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-5-3-9(4-6-10)11-8-14-16-12(15-11)2-1-7-17/h3-6,8,17H,1-2,7H2.
What are the key properties of 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol?
3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol has a molecular weight of 233.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]propan-1-ol is sourced from PubChem (CID 105492376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).