4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one

C10H16N6O — CID 102887981

IUPAC4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2cncc(NN)n2)CC1=O
InChIInChI=1S/C10H16N6O/c1-15-3-2-4-16(7-10(15)17)9-6-12-5-8(13-9)14-11/h5-6H,2-4,7,11H2,1H3,(H,13,14)
InChIKeyTXFJFWFOMCSMAV-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.57
Rot. Bonds2

About 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one

4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102887981) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID102887981
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2cncc(NN)n2)CC1=O
InChIInChI=1S/C10H16N6O/c1-15-3-2-4-16(7-10(15)17)9-6-12-5-8(13-9)14-11/h5-6H,2-4,7,11H2,1H3,(H,13,14)
InChIKeyTXFJFWFOMCSMAV-UHFFFAOYSA-N
XLogP-0.57
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102846599
4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887980
4-(6-hydrazinylpyrazin-2-yl)piperazin-2-one
CID 80932982
2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 107226836
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80915875
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175
(6-morpholin-4-ylpyrazin-2-yl)hydrazine
CID 80928233
1-(6-hydrazinylpyrazin-2-yl)-N-methylpiperidine-3-carboxamide
CID 103198738
[6-(2,2-dimethylpyrrolidin-1-yl)pyrazin-2-yl]hydrazine
CID 80914484
4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887866

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one (CID 102887981) is 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(c2cncc(NN)n2)CC1=O.
What is the InChIKey of 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is TXFJFWFOMCSMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-15-3-2-4-16(7-10(15)17)9-6-12-5-8(13-9)14-11/h5-6H,2-4,7,11H2,1H3,(H,13,14).
What are the key properties of 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one?
4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 236.28 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).