4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one

C15H23BrN4O — CID 106620067

IUPAC4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(N(CC2CC2)CC2CCCN2)c(Br)c1=O
InChIInChI=1S/C15H23BrN4O/c1-2-20-15(21)14(16)13(8-18-20)19(9-11-5-6-11)10-12-4-3-7-17-12/h8,11-12,17H,2-7,9-10H2,1H3
InChIKeyFCUDBCRYQFADIF-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.99
Rot. Bonds6

About 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one

4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one (PubChem CID 106620067) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
PubChem CID106620067
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(N(CC2CC2)CC2CCCN2)c(Br)c1=O
InChIInChI=1S/C15H23BrN4O/c1-2-20-15(21)14(16)13(8-18-20)19(9-11-5-6-11)10-12-4-3-7-17-12/h8,11-12,17H,2-7,9-10H2,1H3
InChIKeyFCUDBCRYQFADIF-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619493
4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618950
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
CID 106642106
4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
4-bromo-2-(2-hydroxyethyl)-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619580
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
CID 114446386
4-bromo-5-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-prop-2-enylpyridazin-3-one
CID 106600142
4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618884
4-bromo-5-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106600112
4-chloro-5-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propylpyridazin-3-one
CID 106621465
4-chloro-2-prop-2-enyl-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619579

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one (CID 106620067) is 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one is CCn1ncc(N(CC2CC2)CC2CCCN2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one?
The InChIKey is FCUDBCRYQFADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-2-20-15(21)14(16)13(8-18-20)19(9-11-5-6-11)10-12-4-3-7-17-12/h8,11-12,17H,2-7,9-10H2,1H3.
What are the key properties of 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one?
4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one has a molecular weight of 355.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one is sourced from PubChem (CID 106620067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).