2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol

C15H20FN3O — CID 66057605

IUPAC2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCCn1ncnc1CC(CO)Cc1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c1-2-6-19-15(17-11-18-19)9-13(10-20)7-12-4-3-5-14(16)8-12/h3-5,8,11,13,20H,2,6-7,9-10H2,1H3
InChIKeyNCTLRAQUGIWPIZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.22
Rot. Bonds7

About 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol

2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 66057605) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID66057605
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCCn1ncnc1CC(CO)Cc1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c1-2-6-19-15(17-11-18-19)9-13(10-20)7-12-4-3-5-14(16)8-12/h3-5,8,11,13,20H,2,6-7,9-10H2,1H3
InChIKeyNCTLRAQUGIWPIZ-UHFFFAOYSA-N
XLogP2.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204839
2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 79424033
2-[(3-chlorophenyl)methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 66060581
[1-(3-methoxyphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105205278
1-(2,3-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003143
1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 114454223
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66059067
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
1-(2-bromo-4-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003239
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66057604
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol (CID 66057605) is 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol is CCCn1ncnc1CC(CO)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is NCTLRAQUGIWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-2-6-19-15(17-11-18-19)9-13(10-20)7-12-4-3-5-14(16)8-12/h3-5,8,11,13,20H,2,6-7,9-10H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 277.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 66057605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).