(3-ethyltriazol-4-yl)methanol

C5H9N3O — CID 12654350

IUPAC(3-ethyltriazol-4-yl)methanol
SMILESCCn1nncc1CO
InChIInChI=1S/C5H9N3O/c1-2-8-5(4-9)3-6-7-8/h3,9H,2,4H2,1H3
InChIKeyXLLCGSURMYBFPV-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.21
Rot. Bonds2

About (3-ethyltriazol-4-yl)methanol

(3-ethyltriazol-4-yl)methanol (PubChem CID 12654350) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (3-ethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethyltriazol-4-yl)methanol
PubChem CID12654350
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(3-ethyltriazol-4-yl)methanol
SMILESCCn1nncc1CO
InChIInChI=1S/C5H9N3O/c1-2-8-5(4-9)3-6-7-8/h3,9H,2,4H2,1H3
InChIKeyXLLCGSURMYBFPV-UHFFFAOYSA-N
XLogP-0.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyltriazol-4-yl)methanol?
The IUPAC name of (3-ethyltriazol-4-yl)methanol (CID 12654350) is (3-ethyltriazol-4-yl)methanol.
What is the SMILES notation for (3-ethyltriazol-4-yl)methanol?
The canonical SMILES for (3-ethyltriazol-4-yl)methanol is CCn1nncc1CO.
What is the InChIKey of (3-ethyltriazol-4-yl)methanol?
The InChIKey is XLLCGSURMYBFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-8-5(4-9)3-6-7-8/h3,9H,2,4H2,1H3.
What are the key properties of (3-ethyltriazol-4-yl)methanol?
(3-ethyltriazol-4-yl)methanol has a molecular weight of 127.15 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyltriazol-4-yl)methanol is sourced from PubChem (CID 12654350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).