2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol

C10H17N3O — CID 107057883

IUPAC2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol
SMILESCn1cc(CC(C)(CO)C2CC2)nn1
InChIInChI=1S/C10H17N3O/c1-10(7-14,8-3-4-8)5-9-6-13(2)12-11-9/h6,8,14H,3-5,7H2,1-2H3
InChIKeyQOTOLUMDOYZTQB-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.77
Rot. Bonds4

About 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol

2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol (PubChem CID 107057883) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol
PubChem CID107057883
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol
SMILESCn1cc(CC(C)(CO)C2CC2)nn1
InChIInChI=1S/C10H17N3O/c1-10(7-14,8-3-4-8)5-9-6-13(2)12-11-9/h6,8,14H,3-5,7H2,1-2H3
InChIKeyQOTOLUMDOYZTQB-UHFFFAOYSA-N
XLogP0.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053542
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107061549
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
2-(2-methylphenyl)-2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058399
4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 107044692
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
1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol (CID 107057883) is 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol is Cn1cc(CC(C)(CO)C2CC2)nn1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol?
The InChIKey is QOTOLUMDOYZTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(7-14,8-3-4-8)5-9-6-13(2)12-11-9/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol?
2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 107057883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).