2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one

C14H15ClN4O2 — CID 126938814

IUPAC2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2Nc2ccncc2Cl)n1
InChIInChI=1S/C14H15ClN4O2/c1-9-2-3-14(20)19(18-9)13-8-21-7-12(13)17-11-4-5-16-6-10(11)15/h2-6,12-13H,7-8H2,1H3,(H,16,17)
InChIKeyBGIQQGFHQBHRPT-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.65
Rot. Bonds3

About 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one

2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one (PubChem CID 126938814) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
PubChem CID126938814
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2Nc2ccncc2Cl)n1
InChIInChI=1S/C14H15ClN4O2/c1-9-2-3-14(20)19(18-9)13-8-21-7-12(13)17-11-4-5-16-6-10(11)15/h2-6,12-13H,7-8H2,1H3,(H,16,17)
InChIKeyBGIQQGFHQBHRPT-UHFFFAOYSA-N
XLogP1.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 126938812
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]azepane-1-sulfonamide
CID 126938858
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]furan-2-carboxamide
CID 126938757
2-[4-[[2-(difluoromethyl)quinazolin-4-yl]amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938882
2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938880
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126938910
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126938917
2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one
CID 126939019
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126938792
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940207
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940398
2-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one (CID 126938814) is 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(C2COCC2Nc2ccncc2Cl)n1.
What is the InChIKey of 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The InChIKey is BGIQQGFHQBHRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-9-2-3-14(20)19(18-9)13-8-21-7-12(13)17-11-4-5-16-6-10(11)15/h2-6,12-13H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one?
2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one has a molecular weight of 306.75 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126938814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).