4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one

C14H23BrN4O — CID 106618950

IUPAC4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
SMILESCCn1ncc(N(CC2CCCN2)C(C)C)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-4-19-14(20)13(15)12(8-17-19)18(10(2)3)9-11-6-5-7-16-11/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyCZNINHLNBKMMFX-UHFFFAOYSA-N
MW343.27 g/mol
LogP1.99
Rot. Bonds5

About 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one

4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one (PubChem CID 106618950) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
PubChem CID106618950
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
SMILESCCn1ncc(N(CC2CCCN2)C(C)C)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-4-19-14(20)13(15)12(8-17-19)18(10(2)3)9-11-6-5-7-16-11/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyCZNINHLNBKMMFX-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618884
4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 106620067
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
CID 106642106
4-bromo-2-(cyclopropylmethyl)-5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619493
4-bromo-2-(2-hydroxyethyl)-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619580
4-bromo-5-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106600112
4-bromo-5-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-prop-2-enylpyridazin-3-one
CID 106600142
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
4-chloro-5-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106619175
N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603092
5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one
CID 114444218

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one (CID 106618950) is 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one is CCn1ncc(N(CC2CCCN2)C(C)C)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one?
The InChIKey is CZNINHLNBKMMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-4-19-14(20)13(15)12(8-17-19)18(10(2)3)9-11-6-5-7-16-11/h8,10-11,16H,4-7,9H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one?
4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one has a molecular weight of 343.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one is sourced from PubChem (CID 106618950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).