4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one

C13H16N8O2 — CID 123624219

IUPAC4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one
SMILES[H]/N=N/C/C=N/c1c[nH]n(-c2cc(N3CCOCC3)ncn2)c1=O
InChIInChI=1S/C13H16N8O2/c14-18-2-1-15-10-8-19-21(13(10)22)12-7-11(16-9-17-12)20-3-5-23-6-4-20/h1,7-9,14,19H,2-6H2/b15-1+,18-14+
InChIKeyJZTIYNANJJNHHA-RXCSMEJXSA-N
MW316.32 g/mol
LogP0.53
Rot. Bonds5

About 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one

4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one (PubChem CID 123624219) has the molecular formula C13H16N8O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one
PubChem CID123624219
Molecular FormulaC13H16N8O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one
SMILES[H]/N=N/C/C=N/c1c[nH]n(-c2cc(N3CCOCC3)ncn2)c1=O
InChIInChI=1S/C13H16N8O2/c14-18-2-1-15-10-8-19-21(13(10)22)12-7-11(16-9-17-12)20-3-5-23-6-4-20/h1,7-9,14,19H,2-6H2/b15-1+,18-14+
InChIKeyJZTIYNANJJNHHA-RXCSMEJXSA-N
XLogP0.53
TPSA124.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 59603622
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride
CID 67456106
1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazole-4-carbonitrile
CID 59603561
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24794806
4-imidazol-1-yl-2-[6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-1H-pyrazol-3-one;hydrochloride
CID 66726305
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazol-3-one
CID 25074375
ethane;5-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile
CID 143659898
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one
CID 50950111
[4-cyano-1-[2-(6-morpholin-4-ylpyrimidin-4-yl)-3-oxo-1H-pyrazol-4-yl]imidazol-2-yl] 2,2,2-trifluoroacetate
CID 68751138
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690

Frequently Asked Questions

What is the IUPAC name of 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one (CID 123624219) is 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one is [H]/N=N/C/C=N/c1c[nH]n(-c2cc(N3CCOCC3)ncn2)c1=O.
What is the InChIKey of 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one?
The InChIKey is JZTIYNANJJNHHA-RXCSMEJXSA-N. The full InChI is InChI=1S/C13H16N8O2/c14-18-2-1-15-10-8-19-21(13(10)22)12-7-11(16-9-17-12)20-3-5-23-6-4-20/h1,7-9,14,19H,2-6H2/b15-1+,18-14+.
What are the key properties of 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one?
4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one has a molecular weight of 316.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diazenylethylideneamino)-2-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 123624219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).