2-(1-pentan-2-yltriazol-4-yl)propan-2-ol

C10H19N3O — CID 107886607

IUPAC2-(1-pentan-2-yltriazol-4-yl)propan-2-ol
SMILESCCCC(C)n1cc(C(C)(C)O)nn1
InChIInChI=1S/C10H19N3O/c1-5-6-8(2)13-7-9(11-12-13)10(3,4)14/h7-8,14H,5-6H2,1-4H3
InChIKeyBGWNGHRHFJQGHK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.87
Rot. Bonds4

About 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol

2-(1-pentan-2-yltriazol-4-yl)propan-2-ol (PubChem CID 107886607) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-pentan-2-yltriazol-4-yl)propan-2-ol
PubChem CID107886607
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(1-pentan-2-yltriazol-4-yl)propan-2-ol
SMILESCCCC(C)n1cc(C(C)(C)O)nn1
InChIInChI=1S/C10H19N3O/c1-5-6-8(2)13-7-9(11-12-13)10(3,4)14/h7-8,14H,5-6H2,1-4H3
InChIKeyBGWNGHRHFJQGHK-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol
CID 130503451
1-(1-pentan-2-yltriazol-4-yl)propan-1-ol
CID 107886610
2-(1-propan-2-yltriazol-4-yl)butan-2-ol
CID 130560981
1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496925
1-[(2S)-5-(4-tert-butyltriazol-1-yl)-5-methylhexan-2-yl]-4-ethyltriazole
CID 174013771
4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
CID 126762814
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 63999337
1-(1-pentan-2-ylpyrazol-4-yl)ethanol
CID 107887185
2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide
CID 166406372
1-[(2R)-pentan-2-yl]pyrazol-4-amine
CID 95212149
1-(1-pentan-2-ylpyrazol-4-yl)ethanone
CID 107886856
1-butan-2-yltriazol-4-amine
CID 79530660

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol?
The IUPAC name of 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol (CID 107886607) is 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol is CCCC(C)n1cc(C(C)(C)O)nn1.
What is the InChIKey of 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol?
The InChIKey is BGWNGHRHFJQGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-6-8(2)13-7-9(11-12-13)10(3,4)14/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol?
2-(1-pentan-2-yltriazol-4-yl)propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentan-2-yltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107886607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).