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

C10H13ClN6O2 — CID 114438849

IUPAC4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ncn[nH]2)cnn1CCO
InChIInChI=1S/C10H13ClN6O2/c11-9-7(5-15-17(3-4-18)10(9)19)12-2-1-8-13-6-14-16-8/h5-6,12,18H,1-4H2,(H,13,14,16)
InChIKeyNRVGDAMGWJPRRI-UHFFFAOYSA-N
MW284.71 g/mol
LogP-0.34
Rot. Bonds6

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

4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one (PubChem CID 114438849) has the molecular formula C10H13ClN6O2 and a molecular weight of 284.71 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
PubChem CID114438849
Molecular FormulaC10H13ClN6O2
Molecular Weight284.71 g/mol
Exact Mass284.08
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ncn[nH]2)cnn1CCO
InChIInChI=1S/C10H13ClN6O2/c11-9-7(5-15-17(3-4-18)10(9)19)12-2-1-8-13-6-14-16-8/h5-6,12,18H,1-4H2,(H,13,14,16)
InChIKeyNRVGDAMGWJPRRI-UHFFFAOYSA-N
XLogP-0.34
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 115744819
methyl 2-[5-chloro-6-oxo-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-1-yl]acetate
CID 114438844
4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435208
4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
CID 114437671
4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 106105450
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130
5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114444841
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
5-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114446303
methyl 2-[5-chloro-6-oxo-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridazin-1-yl]acetate
CID 114434210
4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973221
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one (CID 114438849) is 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one is O=c1c(Cl)c(NCCc2ncn[nH]2)cnn1CCO.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one?
The InChIKey is NRVGDAMGWJPRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2/c11-9-7(5-15-17(3-4-18)10(9)19)12-2-1-8-13-6-14-16-8/h5-6,12,18H,1-4H2,(H,13,14,16).
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one has a molecular weight of 284.71 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114438849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).