1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol

C9H17N3O2 — CID 114496914

IUPAC1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cn1cc(CO)nn1
InChIInChI=1S/C9H17N3O2/c1-7(2)9(3,14)6-12-4-8(5-13)10-11-12/h4,7,13-14H,5-6H2,1-3H3
InChIKeyCDMSQSMWRZHGTR-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.18
Rot. Bonds4

About 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol

1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol (PubChem CID 114496914) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol
PubChem CID114496914
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cn1cc(CO)nn1
InChIInChI=1S/C9H17N3O2/c1-7(2)9(3,14)6-12-4-8(5-13)10-11-12/h4,7,13-14H,5-6H2,1-3H3
InChIKeyCDMSQSMWRZHGTR-UHFFFAOYSA-N
XLogP0.18
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-1-[4-(methylaminomethyl)triazol-1-yl]butan-2-ol
CID 114496898
[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol
CID 99737543
2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 55067182
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
(1-prop-2-enyltriazol-4-yl)methanol
CID 82204783
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
[1-(4-methylundecyl)triazol-4-yl]methanol
CID 174977767
1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496907
ethane;ethanol;hydrogen peroxide;4-(methoxymethyl)-1-(2,2,4-trimethylpentyl)triazole
CID 167448164
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502
N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 55067228
2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol
CID 166838069

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol (CID 114496914) is 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)Cn1cc(CO)nn1.
What is the InChIKey of 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol?
The InChIKey is CDMSQSMWRZHGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(2)9(3,14)6-12-4-8(5-13)10-11-12/h4,7,13-14H,5-6H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol?
1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol has a molecular weight of 199.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114496914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).