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

C12H19N5O2 — CID 43443306

IUPAC6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H19N5O2/c18-11-9-15-10(8-16-11)12(19)14-2-1-5-17-6-3-13-4-7-17/h8-9,13H,1-7H2,(H,14,19)(H,16,18)
InChIKeyWQOMLKDRYPXRAX-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.21
Rot. Bonds5

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

6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide (PubChem CID 43443306) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide
PubChem CID43443306
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H19N5O2/c18-11-9-15-10(8-16-11)12(19)14-2-1-5-17-6-3-13-4-7-17/h8-9,13H,1-7H2,(H,14,19)(H,16,18)
InChIKeyWQOMLKDRYPXRAX-UHFFFAOYSA-N
XLogP-1.21
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(4-Ethyl-3,3-dimethylpiperazin-1-yl)carbonyl]pyrazin-2-ol
CID 124209694
N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 114383349
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
1,5-Dimethylpiperazin-2-one;1,5-dimethylpyrazin-2-one
CID 159910237
6-oxo-N-propyl-1H-pyrazine-2-carboxamide
CID 173000031
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
5-(piperazine-1-carbonyl)-1H-pyrazin-2-one
CID 28788615
5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one
CID 28788637
6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide
CID 43167653
5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 43501386

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide (CID 43443306) is 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide is O=C(NCCCN1CCNCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide?
The InChIKey is WQOMLKDRYPXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-11-9-15-10(8-16-11)12(19)14-2-1-5-17-6-3-13-4-7-17/h8-9,13H,1-7H2,(H,14,19)(H,16,18).
What are the key properties of 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 43443306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).