4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one

C16H23N3O3 — CID 166804204

IUPAC4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCC(C)c1cc2c(=O)n(CCO)nc(C(C)OC3CC3)n2c1
InChIInChI=1S/C16H23N3O3/c1-10(2)12-8-14-16(21)19(6-7-20)17-15(18(14)9-12)11(3)22-13-4-5-13/h8-11,13,20H,4-7H2,1-3H3
InChIKeyQQGDGFQADQPZII-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.85
Rot. Bonds6

About 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one

4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 166804204) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID166804204
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCC(C)c1cc2c(=O)n(CCO)nc(C(C)OC3CC3)n2c1
InChIInChI=1S/C16H23N3O3/c1-10(2)12-8-14-16(21)19(6-7-20)17-15(18(14)9-12)11(3)22-13-4-5-13/h8-11,13,20H,4-7H2,1-3H3
InChIKeyQQGDGFQADQPZII-UHFFFAOYSA-N
XLogP1.85
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one (CID 166804204) is 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one is CC(C)c1cc2c(=O)n(CCO)nc(C(C)OC3CC3)n2c1.
What is the InChIKey of 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is QQGDGFQADQPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)12-8-14-16(21)19(6-7-20)17-15(18(14)9-12)11(3)22-13-4-5-13/h8-11,13,20H,4-7H2,1-3H3.
What are the key properties of 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one?
4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 305.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 166804204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).