3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole

C10H19N3O — CID 177332244

IUPAC3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole
SMILESCCOC(c1nc(C)n(C)n1)C(C)C
InChIInChI=1S/C10H19N3O/c1-6-14-9(7(2)3)10-11-8(4)13(5)12-10/h7,9H,6H2,1-5H3
InChIKeyNRZSMSVTSCRKRK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.86
Rot. Bonds4

About 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole

3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole (PubChem CID 177332244) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole
PubChem CID177332244
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole
SMILESCCOC(c1nc(C)n(C)n1)C(C)C
InChIInChI=1S/C10H19N3O/c1-6-14-9(7(2)3)10-11-8(4)13(5)12-10/h7,9H,6H2,1-5H3
InChIKeyNRZSMSVTSCRKRK-UHFFFAOYSA-N
XLogP1.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole (CID 177332244) is 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole is CCOC(c1nc(C)n(C)n1)C(C)C.
What is the InChIKey of 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole?
The InChIKey is NRZSMSVTSCRKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6-14-9(7(2)3)10-11-8(4)13(5)12-10/h7,9H,6H2,1-5H3.
What are the key properties of 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole?
3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole has a molecular weight of 197.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-2-methylpropyl)-1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 177332244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).