7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H18N6O — CID 66282148

IUPAC7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCC1C2CNCC2CN1c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C13H18N6O/c1-2-10-9-5-14-4-8(9)6-18(10)11-3-12-16-17-13(20)19(12)7-15-11/h3,7-10,14H,2,4-6H2,1H3,(H,17,20)
InChIKeyMHKWCHOYRDXMOT-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.15
Rot. Bonds2

About 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282148) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282148
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCC1C2CNCC2CN1c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C13H18N6O/c1-2-10-9-5-14-4-8(9)6-18(10)11-3-12-16-17-13(20)19(12)7-15-11/h3,7-10,14H,2,4-6H2,1H3,(H,17,20)
InChIKeyMHKWCHOYRDXMOT-UHFFFAOYSA-N
XLogP-0.15
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

5-(6-ethoxypyrimidin-4-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66320126
7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106673245
2-cyclopropyl-4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidin-6-one
CID 136978614
7-[2-(aminomethyl)-5-methylmorpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 81217910
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline
CID 66207417
7-[2-(bromomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80676570
5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210120
7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282684
7-(3-chloro-4-methylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 102960804
4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208598
4-ethyl-5-(3-methyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209929
methyl 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carboxylate
CID 66456976

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282148) is 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCC1C2CNCC2CN1c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MHKWCHOYRDXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-10-9-5-14-4-8(9)6-18(10)11-3-12-16-17-13(20)19(12)7-15-11/h3,7-10,14H,2,4-6H2,1H3,(H,17,20).
What are the key properties of 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 274.33 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).