2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol

C10H19N3O — CID 171659714

IUPAC2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCc1nnc(C(C)(C)O)n1C(C)C
InChIInChI=1S/C10H19N3O/c1-6-8-11-12-9(10(4,5)14)13(8)7(2)3/h7,14H,6H2,1-5H3
InChIKeyGYEULDHOPQGBDF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.65
Rot. Bonds3

About 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol

2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 171659714) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID171659714
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCc1nnc(C(C)(C)O)n1C(C)C
InChIInChI=1S/C10H19N3O/c1-6-8-11-12-9(10(4,5)14)13(8)7(2)3/h7,14H,6H2,1-5H3
InChIKeyGYEULDHOPQGBDF-UHFFFAOYSA-N
XLogP1.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazole
CID 59485444
[4-propan-2-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396232
2-amino-2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 130608326
3-tert-butyl-5-chloro-4-propan-2-yl-1,2,4-triazole
CID 63383872
N-(4-bromophenyl)-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716828
3-chloro-5-ethyl-4-(2-methylpentan-3-yl)-1,2,4-triazole
CID 63385561
3-chloro-5-ethyl-4-(3-ethylpentan-2-yl)-1,2,4-triazole
CID 63841145
ethane;2-(5-ethynyl-1-propan-2-ylimidazol-2-yl)propan-2-ol
CID 171659847
3,5-diethyl-4-methyl-1,2,4-triazole
CID 59273822
3-chloro-5-ethyl-4-(5-methylhexan-2-yl)-1,2,4-triazole
CID 63927365
3-(bromomethyl)-5-ethoxy-4-propan-2-yl-1,2,4-triazole
CID 115399000
2-(1-propan-2-yltriazol-4-yl)butan-2-ol
CID 130560981

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (CID 171659714) is 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is CCc1nnc(C(C)(C)O)n1C(C)C.
What is the InChIKey of 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is GYEULDHOPQGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6-8-11-12-9(10(4,5)14)13(8)7(2)3/h7,14H,6H2,1-5H3.
What are the key properties of 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 171659714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).