3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol

C13H17N3O2 — CID 113374449

IUPAC3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol
SMILESCOCc1cccc(-n2cc(CCCO)nn2)c1
InChIInChI=1S/C13H17N3O2/c1-18-10-11-4-2-6-13(8-11)16-9-12(14-15-16)5-3-7-17/h2,4,6,8-9,17H,3,5,7,10H2,1H3
InChIKeyIRFZBOJWIRFSQO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.34
Rot. Bonds6

About 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol

3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol (PubChem CID 113374449) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol
PubChem CID113374449
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol
SMILESCOCc1cccc(-n2cc(CCCO)nn2)c1
InChIInChI=1S/C13H17N3O2/c1-18-10-11-4-2-6-13(8-11)16-9-12(14-15-16)5-3-7-17/h2,4,6,8-9,17H,3,5,7,10H2,1H3
InChIKeyIRFZBOJWIRFSQO-UHFFFAOYSA-N
XLogP1.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]butan-1-amine
CID 104539015
3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462
N-[3-[[3-[4-(3-hydroxypropyl)triazol-1-yl]phenyl]methyl]phenyl]-4-methoxybenzamide
CID 58173036
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113374472
3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268557
4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol
CID 71552101
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
CID 113374476
4-butyl-1-phenyltriazole
CID 25191665

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol (CID 113374449) is 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol is COCc1cccc(-n2cc(CCCO)nn2)c1.
What is the InChIKey of 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol?
The InChIKey is IRFZBOJWIRFSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-10-11-4-2-6-13(8-11)16-9-12(14-15-16)5-3-7-17/h2,4,6,8-9,17H,3,5,7,10H2,1H3.
What are the key properties of 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol?
3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113374449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).