2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C11H19N3O — CID 155480098

IUPAC2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCCOCc1nc2n(n1)C(C(C)C)CC2
InChIInChI=1S/C11H19N3O/c1-4-15-7-10-12-11-6-5-9(8(2)3)14(11)13-10/h8-9H,4-7H2,1-3H3
InChIKeyGOUPRVXNYFRSQD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds4

About 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 155480098) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID155480098
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCCOCc1nc2n(n1)C(C(C)C)CC2
InChIInChI=1S/C11H19N3O/c1-4-15-7-10-12-11-6-5-9(8(2)3)14(11)13-10/h8-9H,4-7H2,1-3H3
InChIKeyGOUPRVXNYFRSQD-UHFFFAOYSA-N
XLogP1.96
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 155480098) is 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is CCOCc1nc2n(n1)C(C(C)C)CC2.
What is the InChIKey of 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is GOUPRVXNYFRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-15-7-10-12-11-6-5-9(8(2)3)14(11)13-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 209.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 155480098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).