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

C15H25BrN4O — CID 106618884

IUPAC4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
SMILESCC(C)N(CC1CCCN1)c1cnn(C(C)C)c(=O)c1Br
InChIInChI=1S/C15H25BrN4O/c1-10(2)19(9-12-6-5-7-17-12)13-8-18-20(11(3)4)15(21)14(13)16/h8,10-12,17H,5-7,9H2,1-4H3
InChIKeyBGRSQOKAWSNNGV-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.55
Rot. Bonds5

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

4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one (PubChem CID 106618884) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
PubChem CID106618884
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
SMILESCC(C)N(CC1CCCN1)c1cnn(C(C)C)c(=O)c1Br
InChIInChI=1S/C15H25BrN4O/c1-10(2)19(9-12-6-5-7-17-12)13-8-18-20(11(3)4)15(21)14(13)16/h8,10-12,17H,5-7,9H2,1-4H3
InChIKeyBGRSQOKAWSNNGV-UHFFFAOYSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618950
4-bromo-5-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106600112
4-chloro-5-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106619175
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-(2-hydroxyethyl)-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619580
4-bromo-2-(cyclopropylmethyl)-5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619493
4-bromo-2-propan-2-yl-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridazin-3-one
CID 114444493
4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973090
4-bromo-5-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-prop-2-enylpyridazin-3-one
CID 106600142
5-bromo-2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619071
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one (CID 106618884) is 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one is CC(C)N(CC1CCCN1)c1cnn(C(C)C)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one?
The InChIKey is BGRSQOKAWSNNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-10(2)19(9-12-6-5-7-17-12)13-8-18-20(11(3)4)15(21)14(13)16/h8,10-12,17H,5-7,9H2,1-4H3.
What are the key properties of 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one?
4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one is sourced from PubChem (CID 106618884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).