1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide

C11H19N5O — CID 23524217

IUPAC1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ncn(C2OC(CC)C(C)C2C)n1
InChIInChI=1S/C11H19N5O/c1-4-8-6(2)7(3)11(17-8)16-5-14-10(15-16)9(12)13/h5-8,11H,4H2,1-3H3,(H3,12,13)
InChIKeyZPLYJLLCQVLSKF-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.14
Rot. Bonds3

About 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide

1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide (PubChem CID 23524217) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide.

Molecular Properties

Compound Name1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide
PubChem CID23524217
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ncn(C2OC(CC)C(C)C2C)n1
InChIInChI=1S/C11H19N5O/c1-4-8-6(2)7(3)11(17-8)16-5-14-10(15-16)9(12)13/h5-8,11H,4H2,1-3H3,(H3,12,13)
InChIKeyZPLYJLLCQVLSKF-UHFFFAOYSA-N
XLogP1.14
TPSA89.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide?
The IUPAC name of 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide (CID 23524217) is 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide.
What is the SMILES notation for 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide?
The canonical SMILES for 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide is [H]/N=C(\N)c1ncn(C2OC(CC)C(C)C2C)n1.
What is the InChIKey of 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide?
The InChIKey is ZPLYJLLCQVLSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-8-6(2)7(3)11(17-8)16-5-14-10(15-16)9(12)13/h5-8,11H,4H2,1-3H3,(H3,12,13).
What are the key properties of 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide?
1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3,4-dimethyloxolan-2-yl)-1,2,4-triazole-3-carboximidamide is sourced from PubChem (CID 23524217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).