2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one

C17H27N5O2 — CID 53203883

IUPAC2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCN1CCCN(C(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-19-6-4-8-21(10-9-19)17(24)14-5-3-7-22(13-14)15-11-16(23)20(2)18-12-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyWJUQRPUSXAMQHY-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.16
Rot. Bonds2

About 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one

2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 53203883) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one
PubChem CID53203883
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCN1CCCN(C(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-19-6-4-8-21(10-9-19)17(24)14-5-3-7-22(13-14)15-11-16(23)20(2)18-12-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyWJUQRPUSXAMQHY-UHFFFAOYSA-N
XLogP0.16
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one (CID 53203883) is 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one is CN1CCCN(C(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)CC1.
What is the InChIKey of 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is WJUQRPUSXAMQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-19-6-4-8-21(10-9-19)17(24)14-5-3-7-22(13-14)15-11-16(23)20(2)18-12-15/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 333.44 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53203883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).