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

C11H17N3O — CID 43810568

IUPACN-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCCNC(=O)c1ccc2n1CCNC2C
InChIInChI=1S/C11H17N3O/c1-3-12-11(15)10-5-4-9-8(2)13-6-7-14(9)10/h4-5,8,13H,3,6-7H2,1-2H3,(H,12,15)
InChIKeyLKBFTNAXFITVLX-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.90
Rot. Bonds2

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

N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 43810568) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID43810568
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCCNC(=O)c1ccc2n1CCNC2C
InChIInChI=1S/C11H17N3O/c1-3-12-11(15)10-5-4-9-8(2)13-6-7-14(9)10/h4-5,8,13H,3,6-7H2,1-2H3,(H,12,15)
InChIKeyLKBFTNAXFITVLX-UHFFFAOYSA-N
XLogP0.90
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CID 43810568) is N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide is CCNC(=O)c1ccc2n1CCNC2C.
What is the InChIKey of N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is LKBFTNAXFITVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-12-11(15)10-5-4-9-8(2)13-6-7-14(9)10/h4-5,8,13H,3,6-7H2,1-2H3,(H,12,15).
What are the key properties of N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide?
N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 43810568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).