4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one

C15H25BrN4O — CID 114446567

IUPAC4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
SMILESCCCCC(CN)Nc1c(Br)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H25BrN4O/c1-2-3-7-12(8-17)19-14-13(16)9-18-20(15(14)21)10-11-5-4-6-11/h9,11-12,19H,2-8,10,17H2,1H3
InChIKeyGIFWZKOWKMRSQG-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.74
Rot. Bonds8

About 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one

4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one (PubChem CID 114446567) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
PubChem CID114446567
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
SMILESCCCCC(CN)Nc1c(Br)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H25BrN4O/c1-2-3-7-12(8-17)19-14-13(16)9-18-20(15(14)21)10-11-5-4-6-11/h9,11-12,19H,2-8,10,17H2,1H3
InChIKeyGIFWZKOWKMRSQG-UHFFFAOYSA-N
XLogP2.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-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

5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436910
4-[(1-amino-4-methylpentan-2-yl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114445272
5-bromo-2-(cyclobutylmethyl)-4-(heptan-2-ylamino)pyridazin-3-one
CID 114435361
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114445723
5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435317
5-bromo-2-(cyclobutylmethyl)-4-(3-ethylpentan-2-ylamino)pyridazin-3-one
CID 114438171
5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436917
5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438942
3-[[5-bromo-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]propane-1-sulfonamide
CID 114436519
4-[(4-aminocyclohexyl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114446215
5-bromo-2-(cyclobutylmethyl)-4-[(3-methylcyclobutyl)amino]pyridazin-3-one
CID 114442063
5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one
CID 114433171

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one?
The IUPAC name of 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one (CID 114446567) is 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one?
The canonical SMILES for 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one is CCCCC(CN)Nc1c(Br)cnn(CC2CCC2)c1=O.
What is the InChIKey of 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one?
The InChIKey is GIFWZKOWKMRSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-2-3-7-12(8-17)19-14-13(16)9-18-20(15(14)21)10-11-5-4-6-11/h9,11-12,19H,2-8,10,17H2,1H3.
What are the key properties of 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one?
4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one is sourced from PubChem (CID 114446567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).