2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

C19H20N6O2 — CID 126936768

IUPAC2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1[nH]ccnc1NC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C19H20N6O2/c26-17-6-5-16(13-7-9-20-10-8-13)24-25(17)15-3-1-14(2-4-15)23-18-19(27)22-12-11-21-18/h5-12,14-15H,1-4H2,(H,21,23)(H,22,27)
InChIKeyUMVASKDGSSHLRX-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126936768) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126936768
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1[nH]ccnc1NC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C19H20N6O2/c26-17-6-5-16(13-7-9-20-10-8-13)24-25(17)15-3-1-14(2-4-15)23-18-19(27)22-12-11-21-18/h5-12,14-15H,1-4H2,(H,21,23)(H,22,27)
InChIKeyUMVASKDGSSHLRX-UHFFFAOYSA-N
XLogP1.98
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936683
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936839
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936711
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936834
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]morpholine-4-sulfonamide
CID 126936628

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (CID 126936768) is 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is O=c1[nH]ccnc1NC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is UMVASKDGSSHLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-17-6-5-16(13-7-9-20-10-8-13)24-25(17)15-3-1-14(2-4-15)23-18-19(27)22-12-11-21-18/h5-12,14-15H,1-4H2,(H,21,23)(H,22,27).
What are the key properties of 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 364.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126936768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).