1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one

C10H12N4O2 — CID 62046605

IUPAC1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)c2cnccn2)CCN1
InChIInChI=1S/C10H12N4O2/c15-9-1-5-14(6-4-13-9)10(16)8-7-11-2-3-12-8/h2-3,7H,1,4-6H2,(H,13,15)
InChIKeyFHJLWDSNNKOQJB-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.56
Rot. Bonds1

About 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one

1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one (PubChem CID 62046605) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
PubChem CID62046605
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)c2cnccn2)CCN1
InChIInChI=1S/C10H12N4O2/c15-9-1-5-14(6-4-13-9)10(16)8-7-11-2-3-12-8/h2-3,7H,1,4-6H2,(H,13,15)
InChIKeyFHJLWDSNNKOQJB-UHFFFAOYSA-N
XLogP-0.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
CID 62896264
1-(1,2,5-thiadiazole-3-carbonyl)-1,4-diazepan-5-one
CID 62046931
1-(1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 62045064
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
(2R)-4-(pyrazine-2-carbonyl)piperazine-2-carboxylic acid
CID 97169281
1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
CID 104641244
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
1-(2-chloropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 60708067
1-(5-amino-1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 63003991
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
CID 136516092
1-[6-(methylamino)pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 62998473
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one (CID 62046605) is 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one is O=C1CCN(C(=O)c2cnccn2)CCN1.
What is the InChIKey of 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one?
The InChIKey is FHJLWDSNNKOQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-9-1-5-14(6-4-13-9)10(16)8-7-11-2-3-12-8/h2-3,7H,1,4-6H2,(H,13,15).
What are the key properties of 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one?
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one has a molecular weight of 220.23 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 62046605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).