2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one

C17H27N5O2 — CID 91828498

IUPAC2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one
SMILESCCC(C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1)N1CCCC1
InChIInChI=1S/C17H27N5O2/c1-3-15(21-6-4-5-7-21)17(24)22-10-8-20(9-11-22)14-12-16(23)19(2)18-13-14/h12-13,15H,3-11H2,1-2H3
InChIKeyQNSFWWALNJFLAX-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.30
Rot. Bonds4

About 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 91828498) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one
PubChem CID91828498
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one
SMILESCCC(C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1)N1CCCC1
InChIInChI=1S/C17H27N5O2/c1-3-15(21-6-4-5-7-21)17(24)22-10-8-20(9-11-22)14-12-16(23)19(2)18-13-14/h12-13,15H,3-11H2,1-2H3
InChIKeyQNSFWWALNJFLAX-UHFFFAOYSA-N
XLogP0.30
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one (CID 91828498) is 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one is CCC(C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1)N1CCCC1.
What is the InChIKey of 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is QNSFWWALNJFLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-15(21-6-4-5-7-21)17(24)22-10-8-20(9-11-22)14-12-16(23)19(2)18-13-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 333.44 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-pyrrolidin-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91828498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).