4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one

C12H16ClN5O2 — CID 106105450

IUPAC4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
SMILESCn1ccc(CCNc2cnn(CCO)c(=O)c2Cl)n1
InChIInChI=1S/C12H16ClN5O2/c1-17-5-3-9(16-17)2-4-14-10-8-15-18(6-7-19)12(20)11(10)13/h3,5,8,14,19H,2,4,6-7H2,1H3
InChIKeyCYISGIQMYPVNKF-UHFFFAOYSA-N
MW297.75 g/mol
LogP0.28
Rot. Bonds6

About 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one (PubChem CID 106105450) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
PubChem CID106105450
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
SMILESCn1ccc(CCNc2cnn(CCO)c(=O)c2Cl)n1
InChIInChI=1S/C12H16ClN5O2/c1-17-5-3-9(16-17)2-4-14-10-8-15-18(6-7-19)12(20)11(10)13/h3,5,8,14,19H,2,4,6-7H2,1H3
InChIKeyCYISGIQMYPVNKF-UHFFFAOYSA-N
XLogP0.28
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435208
4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one
CID 114433930
4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 114438849
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442428
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
4-chloro-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one
CID 114440121
4-chloro-2-(2-hydroxyethyl)-5-(1-methylsulfanylpropan-2-ylamino)pyridazin-3-one
CID 114442164

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one (CID 106105450) is 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one is Cn1ccc(CCNc2cnn(CCO)c(=O)c2Cl)n1.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one?
The InChIKey is CYISGIQMYPVNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-17-5-3-9(16-17)2-4-14-10-8-15-18(6-7-19)12(20)11(10)13/h3,5,8,14,19H,2,4,6-7H2,1H3.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one has a molecular weight of 297.75 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 106105450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).