N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide

C9H14ClN5O — CID 134102240

IUPACN'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/N(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H14ClN5O/c1-13(2)6-12-14(3)7-5-11-15(4)9(16)8(7)10/h5-6H,1-4H3/b12-6+
InChIKeyYATCZEYCWGRGGR-WUXMJOGZSA-N
MW243.70 g/mol
LogP0.37
Rot. Bonds3

About N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide

N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide (PubChem CID 134102240) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide
PubChem CID134102240
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC NameN'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/N(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H14ClN5O/c1-13(2)6-12-14(3)7-5-11-15(4)9(16)8(7)10/h5-6H,1-4H3/b12-6+
InChIKeyYATCZEYCWGRGGR-WUXMJOGZSA-N
XLogP0.37
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide (CID 134102240) is N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide is CN(C)/C=N/N(C)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide?
The InChIKey is YATCZEYCWGRGGR-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-13(2)6-12-14(3)7-5-11-15(4)9(16)8(7)10/h5-6H,1-4H3/b12-6+.
What are the key properties of N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide?
N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide has a molecular weight of 243.70 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 134102240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).