3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol

C12H15FN4O — CID 66270046

IUPAC3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNc2cccc(F)c2)nn1
InChIInChI=1S/C12H15FN4O/c13-10-3-1-4-11(7-10)14-8-12-9-17(16-15-12)5-2-6-18/h1,3-4,7,9,14,18H,2,5-6,8H2
InChIKeyCFCQFBNNRLNYHV-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.41
Rot. Bonds6

About 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270046) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66270046
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNc2cccc(F)c2)nn1
InChIInChI=1S/C12H15FN4O/c13-10-3-1-4-11(7-10)14-8-12-9-17(16-15-12)5-2-6-18/h1,3-4,7,9,14,18H,2,5-6,8H2
InChIKeyCFCQFBNNRLNYHV-UHFFFAOYSA-N
XLogP1.41
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 79055183
3-[4-[(2,4-difluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66268338
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
3-[4-[(4-tert-butylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269664
3-[4-[(4-chloro-2-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270446
3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol
CID 115376820
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
3-[4-[[4-(difluoromethylsulfanyl)anilino]methyl]triazol-1-yl]propan-1-ol
CID 66268543
N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401145

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol (CID 66270046) is 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNc2cccc(F)c2)nn1.
What is the InChIKey of 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is CFCQFBNNRLNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c13-10-3-1-4-11(7-10)14-8-12-9-17(16-15-12)5-2-6-18/h1,3-4,7,9,14,18H,2,5-6,8H2.
What are the key properties of 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 250.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).