1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide

C12H19N3O — CID 43810565

IUPAC1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2n1CCNC2C
InChIInChI=1S/C12H19N3O/c1-8(2)14-12(16)11-5-4-10-9(3)13-6-7-15(10)11/h4-5,8-9,13H,6-7H2,1-3H3,(H,14,16)
InChIKeyLIRIWSUNPZLBEM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds2

About 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide

1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 43810565) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID43810565
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2n1CCNC2C
InChIInChI=1S/C12H19N3O/c1-8(2)14-12(16)11-5-4-10-9(3)13-6-7-15(10)11/h4-5,8-9,13H,6-7H2,1-3H3,(H,14,16)
InChIKeyLIRIWSUNPZLBEM-UHFFFAOYSA-N
XLogP1.29
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;ethane;N-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 143839455
1-methyl-6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 19095335
but-2-enedioic acid;6-(3,4-dimethoxyphenyl)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 67850372
1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid
CID 71298527
4-[[5-(1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl)-1,2,4-oxadiazol-3-yl]methyl]benzoic acid
CID 167920688
(E)-but-2-enedioic acid;1,7-dimethyl-6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 19095364
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
CID 119580374
N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 120573193
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
(1R)-6-methyl-1-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 7446906
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
2,6-difluoro-N-[3-methyl-1-(3-methylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 119580013

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CID 43810565) is 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide is CC(C)NC(=O)c1ccc2n1CCNC2C.
What is the InChIKey of 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is LIRIWSUNPZLBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)14-12(16)11-5-4-10-9(3)13-6-7-15(10)11/h4-5,8-9,13H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 43810565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).