6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide

C11H17N5O2 — CID 43600288

IUPAC6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H17N5O2/c17-10-8-14-9(7-15-10)11(18)13-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,13,18)(H,15,17)
InChIKeyGBLIVWVYESNRFL-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.60
Rot. Bonds4

About 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide

6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide (PubChem CID 43600288) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide
PubChem CID43600288
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H17N5O2/c17-10-8-14-9(7-15-10)11(18)13-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,13,18)(H,15,17)
InChIKeyGBLIVWVYESNRFL-UHFFFAOYSA-N
XLogP-1.60
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-Ethyl-3,3-dimethylpiperazin-1-yl)carbonyl]pyrazin-2-ol
CID 124209694
N-[2-[4-(1,2-dihydropyrazine-5-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70289449
6-oxo-N-propyl-1H-pyrazine-3-carboxamide
CID 108474666
N,N-dimethyl-5-oxo-4,5-dihydropyrazine-2-carboxamide
CID 112530590
7,8-dihydro-4H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 144899506
1,5-Dimethylpiperazin-2-one;1,5-dimethylpyrazin-2-one
CID 159910237
ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide
CID 167447575
6-oxo-N-propan-2-yl-1H-pyrazine-2-carboxamide
CID 172999875
6-oxo-N-propyl-1H-pyrazine-2-carboxamide
CID 173000031
N-ethyl-6-oxo-1H-pyrazine-2-carboxamide
CID 173000078
N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide
CID 175766204
5-(2,2-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrazin-2-one
CID 176098829

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide (CID 43600288) is 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide is O=C(NCCN1CCNCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide?
The InChIKey is GBLIVWVYESNRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-10-8-14-9(7-15-10)11(18)13-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,13,18)(H,15,17).
What are the key properties of 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 43600288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).