5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one

C10H14N4O2 — CID 28788637

IUPAC5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCNCC1
InChIInChI=1S/C10H14N4O2/c15-9-7-12-8(6-13-9)10(16)14-4-1-2-11-3-5-14/h6-7,11H,1-5H2,(H,13,15)
InChIKeyOHWZSHJVNXMPAF-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.79
Rot. Bonds1

About 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one

5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 28788637) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one
PubChem CID28788637
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCNCC1
InChIInChI=1S/C10H14N4O2/c15-9-7-12-8(6-13-9)10(16)14-4-1-2-11-3-5-14/h6-7,11H,1-5H2,(H,13,15)
InChIKeyOHWZSHJVNXMPAF-UHFFFAOYSA-N
XLogP-0.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one (CID 28788637) is 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCNCC1.
What is the InChIKey of 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is OHWZSHJVNXMPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9-7-12-8(6-13-9)10(16)14-4-1-2-11-3-5-14/h6-7,11H,1-5H2,(H,13,15).
What are the key properties of 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one?
5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 222.25 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 28788637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).