4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

C14H20N4O — CID 131638300

IUPAC4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESCC(C)CN1C(=O)CC2C1CCN2c1cnccn1
InChIInChI=1S/C14H20N4O/c1-10(2)9-18-11-3-6-17(12(11)7-14(18)19)13-8-15-4-5-16-13/h4-5,8,10-12H,3,6-7,9H2,1-2H3
InChIKeyPNIAVMXFMCEECO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.31
Rot. Bonds3

About 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 131638300) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID131638300
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESCC(C)CN1C(=O)CC2C1CCN2c1cnccn1
InChIInChI=1S/C14H20N4O/c1-10(2)9-18-11-3-6-17(12(11)7-14(18)19)13-8-15-4-5-16-13/h4-5,8,10-12H,3,6-7,9H2,1-2H3
InChIKeyPNIAVMXFMCEECO-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one with MolForge

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Related Compounds

(3aR,6aS)-5-(2-methoxyethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401736
(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401751
(3aR,6aS)-5-(2-methylpropyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507787
1-Pyrazin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131654119
4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 134071436
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CID 129054063
(4R)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42023580
(4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42023582
1-Cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42935930
[2-(1-Methylpyrrolidin-2-yl)pyrrolidin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 53575258
[2-(1-Methylpyrrolidin-2-yl)pyrrolidin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 53575310
(1-Pyrazin-2-ylpiperidin-4-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (CID 131638300) is 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is CC(C)CN1C(=O)CC2C1CCN2c1cnccn1.
What is the InChIKey of 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is PNIAVMXFMCEECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)9-18-11-3-6-17(12(11)7-14(18)19)13-8-15-4-5-16-13/h4-5,8,10-12H,3,6-7,9H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 260.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 131638300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).