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

C10H12N4O2 — CID 62896264

IUPAC4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2cnccn2)CCCN1
InChIInChI=1S/C10H12N4O2/c15-9-7-14(5-1-2-13-9)10(16)8-6-11-3-4-12-8/h3-4,6H,1-2,5,7H2,(H,13,15)
InChIKeySXIVLBLOUSFWSZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.56
Rot. Bonds1

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

4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one (PubChem CID 62896264) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
PubChem CID62896264
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)c2cnccn2)CCCN1
InChIInChI=1S/C10H12N4O2/c15-9-7-14(5-1-2-13-9)10(16)8-6-11-3-4-12-8/h3-4,6H,1-2,5,7H2,(H,13,15)
InChIKeySXIVLBLOUSFWSZ-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

1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 62897938
4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-2-one
CID 62896067
4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one
CID 62896061
4-[5-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1,4-diazepan-2-one
CID 65363470
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
4-(1-chloroisoquinoline-3-carbonyl)-1,4-diazepan-2-one
CID 65366073
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one
CID 65361106

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one (CID 62896264) is 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one is O=C1CN(C(=O)c2cnccn2)CCCN1.
What is the InChIKey of 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one?
The InChIKey is SXIVLBLOUSFWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-9-7-14(5-1-2-13-9)10(16)8-6-11-3-4-12-8/h3-4,6H,1-2,5,7H2,(H,13,15).
What are the key properties of 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one?
4-(pyrazine-2-carbonyl)-1,4-diazepan-2-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 4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 62896264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).