2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol

C10H19N3O — CID 107045738

IUPAC2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
SMILESCCC(C)C(C)(O)Cc1cn(C)nn1
InChIInChI=1S/C10H19N3O/c1-5-8(2)10(3,14)6-9-7-13(4)12-11-9/h7-8,14H,5-6H2,1-4H3
InChIKeyAJAQIWCTVPUCHL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.15
Rot. Bonds4

About 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol

2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol (PubChem CID 107045738) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
PubChem CID107045738
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
SMILESCCC(C)C(C)(O)Cc1cn(C)nn1
InChIInChI=1S/C10H19N3O/c1-5-8(2)10(3,14)6-9-7-13(4)12-11-9/h7-8,14H,5-6H2,1-4H3
InChIKeyAJAQIWCTVPUCHL-UHFFFAOYSA-N
XLogP1.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057685
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107045742
2,3-dimethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylbutan-1-amine
CID 107053556
1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
CID 107045726
4-[2-(chloromethyl)-2-methylpentyl]-1-methyltriazole
CID 107057943
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
4-methyl-1-(1-methyltriazol-4-yl)hexan-2-one
CID 107062841

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol (CID 107045738) is 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol is CCC(C)C(C)(O)Cc1cn(C)nn1.
What is the InChIKey of 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol?
The InChIKey is AJAQIWCTVPUCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-8(2)10(3,14)6-9-7-13(4)12-11-9/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol?
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol is sourced from PubChem (CID 107045738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).