1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride

C8H13Cl2N3O — CID 141008670

IUPAC1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccc2n1CCNC2
InChIInChI=1S/C8H11N3O.2ClH/c9-8(12)7-2-1-6-5-10-3-4-11(6)7;;/h1-2,10H,3-5H2,(H2,9,12);2*1H
InChIKeyFZTYYZLBLBTDQD-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.53
Rot. Bonds1

About 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride

1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride (PubChem CID 141008670) has the molecular formula C8H13Cl2N3O and a molecular weight of 238.12 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
PubChem CID141008670
Molecular FormulaC8H13Cl2N3O
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccc2n1CCNC2
InChIInChI=1S/C8H11N3O.2ClH/c9-8(12)7-2-1-6-5-10-3-4-11(6)7;;/h1-2,10H,3-5H2,(H2,9,12);2*1H
InChIKeyFZTYYZLBLBTDQD-UHFFFAOYSA-N
XLogP0.53
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxylic acid
CID 20790289
6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134285038
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride
CID 66599214
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride
CID 170913373
6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 135129321
N-[(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166305228
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
N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166360978
7-chloro-6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 68886671
5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 90327259
3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155641058
2,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxylic acid
CID 21054576

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?
The IUPAC name of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride (CID 141008670) is 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1ccc2n1CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?
The InChIKey is FZTYYZLBLBTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.2ClH/c9-8(12)7-2-1-6-5-10-3-4-11(6)7;;/h1-2,10H,3-5H2,(H2,9,12);2*1H.
What are the key properties of 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?
1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride has a molecular weight of 238.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 141008670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).