3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol

C13H17FN4O — CID 79055183

IUPAC3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
SMILESCc1cc(F)cc(NCc2cn(CCCO)nn2)c1
InChIInChI=1S/C13H17FN4O/c1-10-5-11(14)7-12(6-10)15-8-13-9-18(17-16-13)3-2-4-19/h5-7,9,15,19H,2-4,8H2,1H3
InChIKeyOXSUGRXIIXBQEO-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.72
Rot. Bonds6

About 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 79055183) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
PubChem CID79055183
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
SMILESCc1cc(F)cc(NCc2cn(CCCO)nn2)c1
InChIInChI=1S/C13H17FN4O/c1-10-5-11(14)7-12(6-10)15-8-13-9-18(17-16-13)3-2-4-19/h5-7,9,15,19H,2-4,8H2,1H3
InChIKeyOXSUGRXIIXBQEO-UHFFFAOYSA-N
XLogP1.72
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
3-[4-[(3-bromo-5-methoxyanilino)methyl]triazol-1-yl]propan-1-ol
CID 82857842
3-[4-[(4-tert-butylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269664
3-[4-[(2,4-difluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66268338
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol
CID 115376820
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
3-bromo-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 178189717
3-[4-[(4-chloro-2-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270446
3-[4-[(3-bromo-2-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 107629688

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol (CID 79055183) is 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol is Cc1cc(F)cc(NCc2cn(CCCO)nn2)c1.
What is the InChIKey of 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is OXSUGRXIIXBQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-10-5-11(14)7-12(6-10)15-8-13-9-18(17-16-13)3-2-4-19/h5-7,9,15,19H,2-4,8H2,1H3.
What are the key properties of 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 264.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 79055183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).