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

C10H16N4O — CID 54775420

IUPAC4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one
SMILESCN1CCCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C10H16N4O/c1-13-3-2-4-14(6-5-13)9-7-10(15)12-11-8-9/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyIWQPUKSWAWGAPZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.09
Rot. Bonds1

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

4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one (PubChem CID 54775420) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one
PubChem CID54775420
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one
SMILESCN1CCCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C10H16N4O/c1-13-3-2-4-14(6-5-13)9-7-10(15)12-11-8-9/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyIWQPUKSWAWGAPZ-UHFFFAOYSA-N
XLogP-0.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590
5-(4-methylpiperazino)-3(2H)-pyridazinone
CID 54775541
2-[4-(4-Methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 56887383
5-(4-methyl-1,4-diazepan-1-yl)-2-pent-2-yn-1-ylpyridazin-3(2H)-one
CID 72850109
1-methyl-4-(6-oxo-1H-pyridazin-4-yl)-1,4-diazepan-2-one
CID 102888065
4-[3-(dimethylamino)propyl-ethylamino]-1H-pyridazin-6-one
CID 102999176
4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one
CID 102999184
2-[ethyl-(6-oxo-1H-pyridazin-4-yl)amino]acetamide
CID 103104577
4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyridazin-6-one
CID 103192683
5-Amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
5-Amino-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103218248
5-Amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 103218322

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one (CID 54775420) is 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one is CN1CCCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one?
The InChIKey is IWQPUKSWAWGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-3-2-4-14(6-5-13)9-7-10(15)12-11-8-9/h7-8H,2-6H2,1H3,(H,12,15).
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one?
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 54775420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).