5-ethyl-1-hydroxytriazol-4-ol

C4H7N3O2 — CID 69327365

IUPAC5-ethyl-1-hydroxytriazol-4-ol
SMILESCCc1c(O)nnn1O
InChIInChI=1S/C4H7N3O2/c1-2-3-4(8)5-6-7(3)9/h8-9H,2H2,1H3
InChIKeyUHXQRQBVNJZVOF-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.22
Rot. Bonds1

About 5-ethyl-1-hydroxytriazol-4-ol

5-ethyl-1-hydroxytriazol-4-ol (PubChem CID 69327365) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 5-ethyl-1-hydroxytriazol-4-ol.

Molecular Properties

Compound Name5-ethyl-1-hydroxytriazol-4-ol
PubChem CID69327365
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name5-ethyl-1-hydroxytriazol-4-ol
SMILESCCc1c(O)nnn1O
InChIInChI=1S/C4H7N3O2/c1-2-3-4(8)5-6-7(3)9/h8-9H,2H2,1H3
InChIKeyUHXQRQBVNJZVOF-UHFFFAOYSA-N
XLogP-0.22
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-hydroxytriazole-4-carboxylic acid
CID 66632331
tris(1-hydroxy-5-propyltriazol-4-yl)methanamine
CID 66603342
4-butyl-1,5-diethyltriazole
CID 69387762
5-ethyl-1-[(1-methyltriazol-4-yl)methyl]triazole-4-carboxylic acid
CID 107052610
3,5-diethyl-4-methyl-1,2,4-triazole
CID 59273822
1,5-diethyl-4-(1,1,2,2,2-pentachloroethyl)triazole
CID 69388577
1-ethyl-4,5-dipropyltriazole
CID 69383163
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
1-(4-carboxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 56768611
5-ethyl-1-propyltriazol-4-amine
CID 79542542
5-ethyl-1-methyltriazole-4-carbaldehyde
CID 82207628
N-[1-(1-hydroxy-5-methyltriazol-4-yl)ethylidene]hydroxylamine
CID 71439045

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-hydroxytriazol-4-ol?
The IUPAC name of 5-ethyl-1-hydroxytriazol-4-ol (CID 69327365) is 5-ethyl-1-hydroxytriazol-4-ol.
What is the SMILES notation for 5-ethyl-1-hydroxytriazol-4-ol?
The canonical SMILES for 5-ethyl-1-hydroxytriazol-4-ol is CCc1c(O)nnn1O.
What is the InChIKey of 5-ethyl-1-hydroxytriazol-4-ol?
The InChIKey is UHXQRQBVNJZVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-2-3-4(8)5-6-7(3)9/h8-9H,2H2,1H3.
What are the key properties of 5-ethyl-1-hydroxytriazol-4-ol?
5-ethyl-1-hydroxytriazol-4-ol has a molecular weight of 129.12 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-hydroxytriazol-4-ol is sourced from PubChem (CID 69327365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).