2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one

C17H20N4O2 — CID 126940299

IUPAC2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1COCC1NCC1CC1
InChIInChI=1S/C17H20N4O2/c22-17-4-3-14(13-5-7-18-8-6-13)20-21(17)16-11-23-10-15(16)19-9-12-1-2-12/h3-8,12,15-16,19H,1-2,9-11H2
InChIKeyWKLSGXORLAPHIA-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one

2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126940299) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126940299
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1COCC1NCC1CC1
InChIInChI=1S/C17H20N4O2/c22-17-4-3-14(13-5-7-18-8-6-13)20-21(17)16-11-23-10-15(16)19-9-12-1-2-12/h3-8,12,15-16,19H,1-2,9-11H2
InChIKeyWKLSGXORLAPHIA-UHFFFAOYSA-N
XLogP1.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939029
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940339
6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940401
6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940310
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940398
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 126940248
6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940035
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
2-[4-[(1-hydroxycyclohexyl)methylamino]oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126940022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one (CID 126940299) is 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1COCC1NCC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is WKLSGXORLAPHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17-4-3-14(13-5-7-18-8-6-13)20-21(17)16-11-23-10-15(16)19-9-12-1-2-12/h3-8,12,15-16,19H,1-2,9-11H2.
What are the key properties of 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 312.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126940299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).