(1-ethyltriazol-4-yl)methanediol

C5H9N3O2 — CID 170377100

IUPAC(1-ethyltriazol-4-yl)methanediol
SMILESCCn1cc(C(O)O)nn1
InChIInChI=1S/C5H9N3O2/c1-2-8-3-4(5(9)10)6-7-8/h3,5,9-10H,2H2,1H3
InChIKeyMBVXVEGERCJDIM-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.72
Rot. Bonds2

About (1-ethyltriazol-4-yl)methanediol

(1-ethyltriazol-4-yl)methanediol (PubChem CID 170377100) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (1-ethyltriazol-4-yl)methanediol.

Molecular Properties

Compound Name(1-ethyltriazol-4-yl)methanediol
PubChem CID170377100
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(1-ethyltriazol-4-yl)methanediol
SMILESCCn1cc(C(O)O)nn1
InChIInChI=1S/C5H9N3O2/c1-2-8-3-4(5(9)10)6-7-8/h3,5,9-10H,2H2,1H3
InChIKeyMBVXVEGERCJDIM-UHFFFAOYSA-N
XLogP-0.72
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethyltriazol-4-yl)methanediol?
The IUPAC name of (1-ethyltriazol-4-yl)methanediol (CID 170377100) is (1-ethyltriazol-4-yl)methanediol.
What is the SMILES notation for (1-ethyltriazol-4-yl)methanediol?
The canonical SMILES for (1-ethyltriazol-4-yl)methanediol is CCn1cc(C(O)O)nn1.
What is the InChIKey of (1-ethyltriazol-4-yl)methanediol?
The InChIKey is MBVXVEGERCJDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-2-8-3-4(5(9)10)6-7-8/h3,5,9-10H,2H2,1H3.
What are the key properties of (1-ethyltriazol-4-yl)methanediol?
(1-ethyltriazol-4-yl)methanediol has a molecular weight of 143.15 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyltriazol-4-yl)methanediol is sourced from PubChem (CID 170377100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).