(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C14H18N4O — CID 97401751

IUPAC(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESO=C1[C@H]2CN(c3cnccn3)C[C@H]2CN1CC1CC1
InChIInChI=1S/C14H18N4O/c19-14-12-9-17(13-5-15-3-4-16-13)7-11(12)8-18(14)6-10-1-2-10/h3-5,10-12H,1-2,6-9H2/t11-,12-/m0/s1
InChIKeyJEMWCBYQUJOBNW-RYUDHWBXSA-N
MW258.32 g/mol
LogP0.78
Rot. Bonds3

About (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 97401751) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID97401751
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESO=C1[C@H]2CN(c3cnccn3)C[C@H]2CN1CC1CC1
InChIInChI=1S/C14H18N4O/c19-14-12-9-17(13-5-15-3-4-16-13)7-11(12)8-18(14)6-10-1-2-10/h3-5,10-12H,1-2,6-9H2/t11-,12-/m0/s1
InChIKeyJEMWCBYQUJOBNW-RYUDHWBXSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-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-(2-methylpropyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507787
(4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 164636504
(3aS,6aR)-5-ethyl-2-[(1-methylimidazol-2-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124816403
(3aS,6aS)-2-[(1-methylimidazol-2-yl)methyl]-5-(2-methylpropyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 125248368
(3aS,6aR)-2-methyl-5-[(1-methylimidazol-2-yl)methyl]-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one
CID 125249235
4-(2-methylpropyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 131638300
4-prop-2-enyl-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 134071436
tert-butyl (3aS,6aR)-2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 56647831
1-cyano-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 118980472
(3S)-1-cyano-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 121247959
(4R)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 32647797

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 97401751) is (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is O=C1[C@H]2CN(c3cnccn3)C[C@H]2CN1CC1CC1.
What is the InChIKey of (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is JEMWCBYQUJOBNW-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14-12-9-17(13-5-15-3-4-16-13)7-11(12)8-18(14)6-10-1-2-10/h3-5,10-12H,1-2,6-9H2/t11-,12-/m0/s1.
What are the key properties of (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 258.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 97401751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).