5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one

C10H14ClN3O2 — CID 114432695

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
SMILESO=c1c(NCCO)c(Cl)cnn1CC1CC1
InChIInChI=1S/C10H14ClN3O2/c11-8-5-13-14(6-7-1-2-7)10(16)9(8)12-3-4-15/h5,7,12,15H,1-4,6H2
InChIKeyIIQBHMREHXMHRA-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.71
Rot. Bonds5

About 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one (PubChem CID 114432695) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
PubChem CID114432695
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
SMILESO=c1c(NCCO)c(Cl)cnn1CC1CC1
InChIInChI=1S/C10H14ClN3O2/c11-8-5-13-14(6-7-1-2-7)10(16)9(8)12-3-4-15/h5,7,12,15H,1-4,6H2
InChIKeyIIQBHMREHXMHRA-UHFFFAOYSA-N
XLogP0.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
CID 107850449
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-(cyclobutylmethyl)-4-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridazin-3-one
CID 106311185
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-2-hydroxypropanamide
CID 106177775
5-chloro-2-(cyclopropylmethyl)-4-(5,5,5-trifluoropentylamino)pyridazin-3-one
CID 114440834
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
CID 114443484
5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104972885

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one (CID 114432695) is 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one is O=c1c(NCCO)c(Cl)cnn1CC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one?
The InChIKey is IIQBHMREHXMHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-5-13-14(6-7-1-2-7)10(16)9(8)12-3-4-15/h5,7,12,15H,1-4,6H2.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one has a molecular weight of 243.69 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one is sourced from PubChem (CID 114432695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).