5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane

C10H16ClN3O2 — CID 168964036

IUPAC5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane
SMILESC1CCOCC1.CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H6ClN3O.C5H10O/c1-7-3-2-8-9-5(10)4(3)6;1-2-4-6-5-3-1/h2H,1H3,(H2,7,9,10);1-5H2
InChIKeyLVAOQKJSQZNJAP-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.65
Rot. Bonds1

About 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane

5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane (PubChem CID 168964036) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane.

Molecular Properties

Compound Name5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane
PubChem CID168964036
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane
SMILESC1CCOCC1.CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H6ClN3O.C5H10O/c1-7-3-2-8-9-5(10)4(3)6;1-2-4-6-5-3-1/h2H,1H3,(H2,7,9,10);1-5H2
InChIKeyLVAOQKJSQZNJAP-UHFFFAOYSA-N
XLogP1.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one
CID 168962962
5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one
CID 112683993
N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide
CID 23263238
5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
CID 47407222
5-chloro-4-(cyclobutylamino)-1H-pyridazin-6-one
CID 78950467
5-chloro-4-(3,3-dimethylbutan-2-ylamino)-1H-pyridazin-6-one
CID 104828828
5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one
CID 78913428
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
CID 133272314
5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
CID 78955295
5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one
CID 105419115
5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one
CID 80747145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane?
The IUPAC name of 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane (CID 168964036) is 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane.
What is the SMILES notation for 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane?
The canonical SMILES for 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane is C1CCOCC1.CNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane?
The InChIKey is LVAOQKJSQZNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O.C5H10O/c1-7-3-2-8-9-5(10)4(3)6;1-2-4-6-5-3-1/h2H,1H3,(H2,7,9,10);1-5H2.
What are the key properties of 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane?
5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane has a molecular weight of 245.71 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane is sourced from PubChem (CID 168964036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).