5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one

C14H22ClN3O3 — CID 106248172

IUPAC5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one
SMILESCOCC(O)CCNc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C14H22ClN3O3/c1-21-9-11(19)5-6-16-13-12(15)7-17-18(14(13)20)8-10-3-2-4-10/h7,10-11,16,19H,2-6,8-9H2,1H3
InChIKeyIRBCJUBDXUXKTA-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.51
Rot. Bonds8

About 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one (PubChem CID 106248172) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one
PubChem CID106248172
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one
SMILESCOCC(O)CCNc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C14H22ClN3O3/c1-21-9-11(19)5-6-16-13-12(15)7-17-18(14(13)20)8-10-3-2-4-10/h7,10-11,16,19H,2-6,8-9H2,1H3
InChIKeyIRBCJUBDXUXKTA-UHFFFAOYSA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(cyclobutylmethyl)-4-(4-hydroxypentylamino)pyridazin-3-one
CID 106136748
5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438636
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide
CID 106239368
5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
CID 107850449
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
5-chloro-2-(cyclobutylmethyl)-4-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridazin-3-one
CID 106311185
5-chloro-2-(cyclobutylmethyl)-4-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430881
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
5-chloro-2-(cyclopropylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438940
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one (CID 106248172) is 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one is COCC(O)CCNc1c(Cl)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one?
The InChIKey is IRBCJUBDXUXKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O3/c1-21-9-11(19)5-6-16-13-12(15)7-17-18(14(13)20)8-10-3-2-4-10/h7,10-11,16,19H,2-6,8-9H2,1H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one has a molecular weight of 315.80 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one is sourced from PubChem (CID 106248172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).