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

C8H15N3O — CID 163231896

IUPAC2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCn1nc(C)nc1C(C)(C)O
InChIInChI=1S/C8H15N3O/c1-5-11-7(8(3,4)12)9-6(2)10-11/h12H,5H2,1-4H3
InChIKeyHRDAZBMAADKCQG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.83
Rot. Bonds2

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

2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 163231896) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID163231896
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCn1nc(C)nc1C(C)(C)O
InChIInChI=1S/C8H15N3O/c1-5-11-7(8(3,4)12)9-6(2)10-11/h12H,5H2,1-4H3
InChIKeyHRDAZBMAADKCQG-UHFFFAOYSA-N
XLogP0.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol (CID 163231896) is 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol is CCn1nc(C)nc1C(C)(C)O.
What is the InChIKey of 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is HRDAZBMAADKCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5-11-7(8(3,4)12)9-6(2)10-11/h12H,5H2,1-4H3.
What are the key properties of 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol?
2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 163231896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).