2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide

C18H27N5O3 — CID 51221127

IUPAC2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESCCCCn1nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1=O
InChIInChI=1S/C18H27N5O3/c1-2-3-8-23-17(25)7-6-15(20-23)18(26)22-11-9-21(10-12-22)13-16(24)19-14-4-5-14/h6-7,14H,2-5,8-13H2,1H3,(H,19,24)
InChIKeyWJDCHTVPOPFBSS-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.08
Rot. Bonds7

About 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 51221127) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID51221127
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESCCCCn1nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1=O
InChIInChI=1S/C18H27N5O3/c1-2-3-8-23-17(25)7-6-15(20-23)18(26)22-11-9-21(10-12-22)13-16(24)19-14-4-5-14/h6-7,14H,2-5,8-13H2,1H3,(H,19,24)
InChIKeyWJDCHTVPOPFBSS-UHFFFAOYSA-N
XLogP0.08
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide (CID 51221127) is 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide is CCCCn1nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1=O.
What is the InChIKey of 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is WJDCHTVPOPFBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-2-3-8-23-17(25)7-6-15(20-23)18(26)22-11-9-21(10-12-22)13-16(24)19-14-4-5-14/h6-7,14H,2-5,8-13H2,1H3,(H,19,24).
What are the key properties of 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 361.45 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 51221127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).