5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one

C14H25ClN4O — CID 114446557

IUPAC5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
SMILESCCCCC(CN)Nc1cnn(CCCC)c(=O)c1Cl
InChIInChI=1S/C14H25ClN4O/c1-3-5-7-11(9-16)18-12-10-17-19(8-6-4-2)14(20)13(12)15/h10-11,18H,3-9,16H2,1-2H3
InChIKeyVYDGMPORHITWHB-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.63
Rot. Bonds9

About 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one

5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one (PubChem CID 114446557) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one.

Molecular Properties

Compound Name5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
PubChem CID114446557
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
SMILESCCCCC(CN)Nc1cnn(CCCC)c(=O)c1Cl
InChIInChI=1S/C14H25ClN4O/c1-3-5-7-11(9-16)18-12-10-17-19(8-6-4-2)14(20)13(12)15/h10-11,18H,3-9,16H2,1-2H3
InChIKeyVYDGMPORHITWHB-UHFFFAOYSA-N
XLogP2.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one
CID 106162048
2-butyl-4-chloro-5-(4-methylsulfanylbutan-2-ylamino)pyridazin-3-one
CID 114442233
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114446563
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one
CID 114446870
2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436331
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434723
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
CID 114442887
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one?
The IUPAC name of 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one (CID 114446557) is 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one.
What is the SMILES notation for 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one?
The canonical SMILES for 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one is CCCCC(CN)Nc1cnn(CCCC)c(=O)c1Cl.
What is the InChIKey of 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one?
The InChIKey is VYDGMPORHITWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-3-5-7-11(9-16)18-12-10-17-19(8-6-4-2)14(20)13(12)15/h10-11,18H,3-9,16H2,1-2H3.
What are the key properties of 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one?
5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one has a molecular weight of 300.83 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one is sourced from PubChem (CID 114446557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).