(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C13H13ClN6O — CID 107244924

IUPAC(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(Cl)cn1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H13ClN6O/c14-11-8-17-10(7-18-11)13(21)20-5-3-19(4-6-20)12-9-15-1-2-16-12/h1-2,7-9H,3-6H2
InChIKeyZGRHYOKXFLVLBB-UHFFFAOYSA-N
MW304.74 g/mol
LogP0.88
Rot. Bonds2

About (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 107244924) has the molecular formula C13H13ClN6O and a molecular weight of 304.74 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID107244924
Molecular FormulaC13H13ClN6O
Molecular Weight304.74 g/mol
Exact Mass304.08
IUPAC Name(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(Cl)cn1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H13ClN6O/c14-11-8-17-10(7-18-11)13(21)20-5-3-19(4-6-20)12-9-15-1-2-16-12/h1-2,7-9H,3-6H2
InChIKeyZGRHYOKXFLVLBB-UHFFFAOYSA-N
XLogP0.88
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103817134
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107371501
(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103803161
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60712555

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 107244924) is (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(c1cnc(Cl)cn1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZGRHYOKXFLVLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6O/c14-11-8-17-10(7-18-11)13(21)20-5-3-19(4-6-20)12-9-15-1-2-16-12/h1-2,7-9H,3-6H2.
What are the key properties of (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 304.74 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 107244924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).