2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

C13H17N3O3 — CID 119037797

IUPAC2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=c1c2cccn2cnn1CCOC1CCCCO1
InChIInChI=1S/C13H17N3O3/c17-13-11-4-3-6-15(11)10-14-16(13)7-9-19-12-5-1-2-8-18-12/h3-4,6,10,12H,1-2,5,7-9H2
InChIKeyHKLXTQMNDLKNBV-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.04
Rot. Bonds4

About 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 119037797) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID119037797
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=c1c2cccn2cnn1CCOC1CCCCO1
InChIInChI=1S/C13H17N3O3/c17-13-11-4-3-6-15(11)10-14-16(13)7-9-19-12-5-1-2-8-18-12/h3-4,6,10,12H,1-2,5,7-9H2
InChIKeyHKLXTQMNDLKNBV-UHFFFAOYSA-N
XLogP1.04
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
CID 19979310
1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
CID 99837452
6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
CID 99842273
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
1-[2-(oxan-2-yloxy)ethyl]-3H-indol-2-one
CID 77211492
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101178662
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 119037797) is 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is O=c1c2cccn2cnn1CCOC1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is HKLXTQMNDLKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13-11-4-3-6-15(11)10-14-16(13)7-9-19-12-5-1-2-8-18-12/h3-4,6,10,12H,1-2,5,7-9H2.
What are the key properties of 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 263.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yloxy)ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 119037797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).