1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one

C10H14N4O2 — CID 102888065

IUPAC1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one
SMILESCN1CCCN(c2cn[nH]c(=O)c2)CC1=O
InChIInChI=1S/C10H14N4O2/c1-13-3-2-4-14(7-10(13)16)8-5-9(15)12-11-6-8/h5-6H,2-4,7H2,1H3,(H,12,15)
InChIKeyCARLBILAKUYGGB-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.56
Rot. Bonds1

About 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one

1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one (PubChem CID 102888065) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one
PubChem CID102888065
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one
SMILESCN1CCCN(c2cn[nH]c(=O)c2)CC1=O
InChIInChI=1S/C10H14N4O2/c1-13-3-2-4-14(7-10(13)16)8-5-9(15)12-11-6-8/h5-6H,2-4,7H2,1H3,(H,12,15)
InChIKeyCARLBILAKUYGGB-UHFFFAOYSA-N
XLogP-0.56
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-azepan-1-yl-2-oxoethyl)-5-(dimethylamino)pyridazin-3(2H)-one
CID 72906941
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one
CID 114393023
2-[4-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 53546039
5-(4-Methyl-1,4-diazepan-1-yl)-3-pyridazinol
CID 54775420
2-[4-(4-Methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 56887383
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72908696
2-(4-Amino-6-oxopyridazin-1-yl)acetamide
CID 84652947
2-[ethyl-(6-oxo-1H-pyridazin-4-yl)amino]acetamide
CID 103104577
N-ethyl-N-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 103114256
2-(4-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide
CID 103218169
2-(4-amino-6-oxopyridazin-1-yl)-N-ethyl-N-methylacetamide
CID 103218180

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one?
The IUPAC name of 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one (CID 102888065) is 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one?
The canonical SMILES for 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one is CN1CCCN(c2cn[nH]c(=O)c2)CC1=O.
What is the InChIKey of 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one?
The InChIKey is CARLBILAKUYGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-3-2-4-14(7-10(13)16)8-5-9(15)12-11-6-8/h5-6H,2-4,7H2,1H3,(H,12,15).
What are the key properties of 1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one?
1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one has a molecular weight of 222.25 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-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 102888065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).