4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one

C9H12N4O — CID 137400102

IUPAC4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one
SMILES[H]/N=C/c1c(NC2CC2)c(C)n[nH]c1=O
InChIInChI=1S/C9H12N4O/c1-5-8(11-6-2-3-6)7(4-10)9(14)13-12-5/h4,6,10H,2-3H2,1H3,(H2,11,13,14)/b10-4+
InChIKeyXJKMCPZBCDYGFN-ONNFQVAWSA-N
MW192.22 g/mol
LogP0.65
Rot. Bonds3

About 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one

4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one (PubChem CID 137400102) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one
PubChem CID137400102
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one
SMILES[H]/N=C/c1c(NC2CC2)c(C)n[nH]c1=O
InChIInChI=1S/C9H12N4O/c1-5-8(11-6-2-3-6)7(4-10)9(14)13-12-5/h4,6,10H,2-3H2,1H3,(H2,11,13,14)/b10-4+
InChIKeyXJKMCPZBCDYGFN-ONNFQVAWSA-N
XLogP0.65
TPSA81.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547628
4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 83696328
5-(cyclopentylamino)-6-methyl-2H-1,2,4-triazin-3-one
CID 7213916
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylazepan-4-amine
CID 65070307
N-[4-[3-[4-(cyclohexylamino)-5-methanimidoyl-6-oxo-1H-pyrimidin-2-yl]azetidin-1-yl]phenyl]acetamide
CID 136504786
5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412352
5-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoyl-3-(oxan-4-ylamino)benzamide
CID 130460089
3-methanimidoyl-7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-4-[(3-methylideneoxan-4-yl)amino]-1H-quinolin-2-one
CID 137257357
4-(cycloheptylamino)-2-[(2-fluorophenyl)methyl]-5-methanimidoyl-1H-pyrimidin-6-one
CID 142863709
2-fluoro-2-methylpropane;5-methanimidoyl-4-(oxan-4-ylamino)-2-[(2-pyridin-4-ylphenyl)methyl]-1H-pyrimidin-6-one
CID 143871276
3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine
CID 65044159
2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine
CID 143308595

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one (CID 137400102) is 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one is [H]/N=C/c1c(NC2CC2)c(C)n[nH]c1=O.
What is the InChIKey of 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one?
The InChIKey is XJKMCPZBCDYGFN-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5-8(11-6-2-3-6)7(4-10)9(14)13-12-5/h4,6,10H,2-3H2,1H3,(H2,11,13,14)/b10-4+.
What are the key properties of 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one?
4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one has a molecular weight of 192.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-5-methanimidoyl-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 137400102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).