1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol

C8H15N3O — CID 137470814

IUPAC1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol
SMILESCCc1cnnn1C(O)C(C)C
InChIInChI=1S/C8H15N3O/c1-4-7-5-9-10-11(7)8(12)6(2)3/h5-6,8,12H,4H2,1-3H3
InChIKeyHTFHRRSTZPDJAU-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.99
Rot. Bonds3

About 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol

1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol (PubChem CID 137470814) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol
PubChem CID137470814
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol
SMILESCCc1cnnn1C(O)C(C)C
InChIInChI=1S/C8H15N3O/c1-4-7-5-9-10-11(7)8(12)6(2)3/h5-6,8,12H,4H2,1-3H3
InChIKeyHTFHRRSTZPDJAU-UHFFFAOYSA-N
XLogP0.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol (CID 137470814) is 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol is CCc1cnnn1C(O)C(C)C.
What is the InChIKey of 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol?
The InChIKey is HTFHRRSTZPDJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-7-5-9-10-11(7)8(12)6(2)3/h5-6,8,12H,4H2,1-3H3.
What are the key properties of 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol?
1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyltriazol-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 137470814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).