2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one

C13H22N4O2 — CID 29151857

IUPAC2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
SMILESCN1CCCN(c2cnn(CCCO)c(=O)c2)CC1
InChIInChI=1S/C13H22N4O2/c1-15-4-2-5-16(8-7-15)12-10-13(19)17(14-11-12)6-3-9-18/h10-11,18H,2-9H2,1H3
InChIKeyZFYIDDWNHTWBCG-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.23
Rot. Bonds4

About 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one

2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one (PubChem CID 29151857) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
PubChem CID29151857
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
SMILESCN1CCCN(c2cnn(CCCO)c(=O)c2)CC1
InChIInChI=1S/C13H22N4O2/c1-15-4-2-5-16(8-7-15)12-10-13(19)17(14-11-12)6-3-9-18/h10-11,18H,2-9H2,1H3
InChIKeyZFYIDDWNHTWBCG-UHFFFAOYSA-N
XLogP-0.23
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one (CID 29151857) is 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one is CN1CCCN(c2cnn(CCCO)c(=O)c2)CC1.
What is the InChIKey of 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
The InChIKey is ZFYIDDWNHTWBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15-4-2-5-16(8-7-15)12-10-13(19)17(14-11-12)6-3-9-18/h10-11,18H,2-9H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one?
2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one is sourced from PubChem (CID 29151857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).