4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one

C10H16ClN3O2 — CID 115702094

IUPAC4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
SMILESCCC(O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-7(15)4-5-12-8-6-13-14(2)10(16)9(8)11/h6-7,12,15H,3-5H2,1-2H3
InChIKeyDOLZUBYOSGWQKY-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.01
Rot. Bonds5

About 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one

4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one (PubChem CID 115702094) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
PubChem CID115702094
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
SMILESCCC(O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-3-7(15)4-5-12-8-6-13-14(2)10(16)9(8)11/h6-7,12,15H,3-5H2,1-2H3
InChIKeyDOLZUBYOSGWQKY-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
CID 103875740
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
CID 12919579
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
CID 133375230
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one (CID 115702094) is 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one is CCC(O)CCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one?
The InChIKey is DOLZUBYOSGWQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-7(15)4-5-12-8-6-13-14(2)10(16)9(8)11/h6-7,12,15H,3-5H2,1-2H3.
What are the key properties of 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one?
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one has a molecular weight of 245.71 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 115702094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).