3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol

C10H19N3O2 — CID 107048161

IUPAC3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol
SMILESCCC(C)(OC)C(O)Cc1cn(C)nn1
InChIInChI=1S/C10H19N3O2/c1-5-10(2,15-4)9(14)6-8-7-13(3)12-11-8/h7,9,14H,5-6H2,1-4H3
InChIKeyMNHCEKZEKUOYGT-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.53
Rot. Bonds5

About 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol

3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol (PubChem CID 107048161) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol
PubChem CID107048161
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol
SMILESCCC(C)(OC)C(O)Cc1cn(C)nn1
InChIInChI=1S/C10H19N3O2/c1-5-10(2,15-4)9(14)6-8-7-13(3)12-11-8/h7,9,14H,5-6H2,1-4H3
InChIKeyMNHCEKZEKUOYGT-UHFFFAOYSA-N
XLogP0.53
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
4-(3-chloro-2-ethylbutyl)-1-methyltriazole
CID 107052371
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107063713
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol (CID 107048161) is 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol is CCC(C)(OC)C(O)Cc1cn(C)nn1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol?
The InChIKey is MNHCEKZEKUOYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-10(2,15-4)9(14)6-8-7-13(3)12-11-8/h7,9,14H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol?
3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol is sourced from PubChem (CID 107048161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).