[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

C16H25N5O — CID 175736663

IUPAC[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESC[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2cn[nH]c2C1(C)C
InChIInChI=1S/C16H25N5O/c1-11-8-19-6-4-5-13(19)10-20(11)15(22)21-9-12-7-17-18-14(12)16(21,2)3/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,18)/t11-,13-/m0/s1
InChIKeyPSPVWSNKRQFRMI-AAEUAGOBSA-N
MW303.41 g/mol
LogP1.75
Rot. Bonds

About [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 175736663) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
PubChem CID175736663
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESC[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2cn[nH]c2C1(C)C
InChIInChI=1S/C16H25N5O/c1-11-8-19-6-4-5-13(19)10-20(11)15(22)21-9-12-7-17-18-14(12)16(21,2)3/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,18)/t11-,13-/m0/s1
InChIKeyPSPVWSNKRQFRMI-AAEUAGOBSA-N
XLogP1.75
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The IUPAC name of [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 175736663) is [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.
What is the SMILES notation for [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The canonical SMILES for [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2cn[nH]c2C1(C)C.
What is the InChIKey of [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The InChIKey is PSPVWSNKRQFRMI-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-8-19-6-4-5-13(19)10-20(11)15(22)21-9-12-7-17-18-14(12)16(21,2)3/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,18)/t11-,13-/m0/s1.
What are the key properties of [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 303.41 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 175736663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).