2-(1-ethyltriazol-4-yl)propan-2-ol

C7H13N3O — CID 112756264

IUPAC2-(1-ethyltriazol-4-yl)propan-2-ol
SMILESCCn1cc(C(C)(C)O)nn1
InChIInChI=1S/C7H13N3O/c1-4-10-5-6(8-9-10)7(2,3)11/h5,11H,4H2,1-3H3
InChIKeyJGAMQVOQQRMPCV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.53
Rot. Bonds2

About 2-(1-ethyltriazol-4-yl)propan-2-ol

2-(1-ethyltriazol-4-yl)propan-2-ol (PubChem CID 112756264) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)propan-2-ol
PubChem CID112756264
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(1-ethyltriazol-4-yl)propan-2-ol
SMILESCCn1cc(C(C)(C)O)nn1
InChIInChI=1S/C7H13N3O/c1-4-10-5-6(8-9-10)7(2,3)11/h5,11H,4H2,1-3H3
InChIKeyJGAMQVOQQRMPCV-UHFFFAOYSA-N
XLogP0.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)propan-2-ol?
The IUPAC name of 2-(1-ethyltriazol-4-yl)propan-2-ol (CID 112756264) is 2-(1-ethyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)propan-2-ol is CCn1cc(C(C)(C)O)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)propan-2-ol?
The InChIKey is JGAMQVOQQRMPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-10-5-6(8-9-10)7(2,3)11/h5,11H,4H2,1-3H3.
What are the key properties of 2-(1-ethyltriazol-4-yl)propan-2-ol?
2-(1-ethyltriazol-4-yl)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 112756264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).