3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol

C13H17FN4O — CID 66270055

IUPAC3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
SMILESCc1ccc(F)c(NCc2cn(CCCO)nn2)c1
InChIInChI=1S/C13H17FN4O/c1-10-3-4-12(14)13(7-10)15-8-11-9-18(17-16-11)5-2-6-19/h3-4,7,9,15,19H,2,5-6,8H2,1H3
InChIKeyMPQWQJWUROIFIH-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.72
Rot. Bonds6

About 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270055) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66270055
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
SMILESCc1ccc(F)c(NCc2cn(CCCO)nn2)c1
InChIInChI=1S/C13H17FN4O/c1-10-3-4-12(14)13(7-10)15-8-11-9-18(17-16-11)5-2-6-19/h3-4,7,9,15,19H,2,5-6,8H2,1H3
InChIKeyMPQWQJWUROIFIH-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

3-[4-[(4-chloro-2-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270446
3-[4-[(2,4-difluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66268338
3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 79055183
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
3-[4-[(2-bromo-5-chloroanilino)methyl]triazol-1-yl]propan-1-ol
CID 81263435
3-[4-[(2-fluoro-4-nitroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270650
3-[4-[(3-bromo-2-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 107629688
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
4-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-3-methylbenzamide
CID 66269874
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269485

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol (CID 66270055) is 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol is Cc1ccc(F)c(NCc2cn(CCCO)nn2)c1.
What is the InChIKey of 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is MPQWQJWUROIFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-10-3-4-12(14)13(7-10)15-8-11-9-18(17-16-11)5-2-6-19/h3-4,7,9,15,19H,2,5-6,8H2,1H3.
What are the key properties of 3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(2-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-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).