2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol

C7H13N3O2 — CID 130602705

IUPAC2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
SMILESCOC(C)C(O)c1cn(C)nn1
InChIInChI=1S/C7H13N3O2/c1-5(12-3)7(11)6-4-10(2)9-8-6/h4-5,7,11H,1-3H3
InChIKeyDEEROAFSRILYAI-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.12
Rot. Bonds3

About 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol

2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol (PubChem CID 130602705) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
PubChem CID130602705
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
SMILESCOC(C)C(O)c1cn(C)nn1
InChIInChI=1S/C7H13N3O2/c1-5(12-3)7(11)6-4-10(2)9-8-6/h4-5,7,11H,1-3H3
InChIKeyDEEROAFSRILYAI-UHFFFAOYSA-N
XLogP-0.12
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-methoxyethyl]-1-methyltriazole
CID 177199900
2-methoxy-2-(1-methyltriazol-4-yl)ethanamine
CID 130599175
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
CID 148834099
(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
CID 130602732
(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
CID 112735965
furan-3-yl-(1-methyltriazol-4-yl)methanol
CID 130521695
(2-methylpyrazol-3-yl)-(1-methyltriazol-4-yl)methanol
CID 130521702
(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
CID 112735964
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
CID 96735449
2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602359
4-(1-chloro-2-methylbutyl)-1-methyltriazole
CID 130603857
3-hydroxy-3-(1-methyltriazol-4-yl)propanal
CID 130599232

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol?
The IUPAC name of 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol (CID 130602705) is 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol is COC(C)C(O)c1cn(C)nn1.
What is the InChIKey of 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol?
The InChIKey is DEEROAFSRILYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(12-3)7(11)6-4-10(2)9-8-6/h4-5,7,11H,1-3H3.
What are the key properties of 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol?
2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol has a molecular weight of 171.20 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 130602705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).