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

C10H21N3O — CID 163231944

IUPACethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCC.CCc1nc(C(C)(C)O)n(C)n1
InChIInChI=1S/C8H15N3O.C2H6/c1-5-6-9-7(8(2,3)12)11(4)10-6;1-2/h12H,5H2,1-4H3;1-2H3
InChIKeySSQOWYALPVAQPS-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.63
Rot. Bonds2

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

ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 163231944) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID163231944
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Nameethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCC.CCc1nc(C(C)(C)O)n(C)n1
InChIInChI=1S/C8H15N3O.C2H6/c1-5-6-9-7(8(2,3)12)11(4)10-6;1-2/h12H,5H2,1-4H3;1-2H3
InChIKeySSQOWYALPVAQPS-UHFFFAOYSA-N
XLogP1.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethyl-1,2,4-triazol-1-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 126782096
2-Methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol
CID 18724116
[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 58204408
(1-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 58204412
2-(2-Propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 58337074
2-(1-Propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 58973033
2-(5-Tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 59539687
5-(2-Ethoxypropan-2-yl)-1,3-dimethyl-1,2,4-triazole
CID 68091586
2-(2-Methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 68295745
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 83384673
2-(1-Methyl-1,2,4-triazol-3-yl)but-3-yn-2-ol
CID 86669574

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol (CID 163231944) is ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol is CC.CCc1nc(C(C)(C)O)n(C)n1.
What is the InChIKey of ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is SSQOWYALPVAQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.C2H6/c1-5-6-9-7(8(2,3)12)11(4)10-6;1-2/h12H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol?
ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 199.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 163231944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).