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

C21H34N6O2 — CID 143839455

IUPACN,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
SMILESCC.CNC(=O)c1ccc2n1CCNC2.CNC(=O)c1ccc2n1CCNC2C
InChIInChI=1S/C10H15N3O.C9H13N3O.C2H6/c1-7-8-3-4-9(10(14)11-2)13(8)6-5-12-7;1-10-9(13)8-3-2-7-6-11-4-5-12(7)8;1-2/h3-4,7,12H,5-6H2,1-2H3,(H,11,14);2-3,11H,4-6H2,1H3,(H,10,13);1-2H3
InChIKeyLPGQYZIQKZCDMB-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.49
Rot. Bonds2

About 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

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 (PubChem CID 143839455) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID143839455
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC NameN,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
SMILESCC.CNC(=O)c1ccc2n1CCNC2.CNC(=O)c1ccc2n1CCNC2C
InChIInChI=1S/C10H15N3O.C9H13N3O.C2H6/c1-7-8-3-4-9(10(14)11-2)13(8)6-5-12-7;1-10-9(13)8-3-2-7-6-11-4-5-12(7)8;1-2/h3-4,7,12H,5-6H2,1-2H3,(H,11,14);2-3,11H,4-6H2,1H3,(H,10,13);1-2H3
InChIKeyLPGQYZIQKZCDMB-UHFFFAOYSA-N
XLogP1.49
TPSA92.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CNC(=O)c1ccc2n1CCNC2.CNC(=O)c1ccc2n1CCNC2C.
What is the InChIKey of 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?
The InChIKey is LPGQYZIQKZCDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C9H13N3O.C2H6/c1-7-8-3-4-9(10(14)11-2)13(8)6-5-12-7;1-10-9(13)8-3-2-7-6-11-4-5-12(7)8;1-2/h3-4,7,12H,5-6H2,1-2H3,(H,11,14);2-3,11H,4-6H2,1H3,(H,10,13);1-2H3.
What are the key properties of 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?
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 has a molecular weight of 402.54 g/mol, XLogP of 1.49, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143839455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).