N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide

C10H15ClN4O2 — CID 134361087

IUPACN-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide
SMILESC/N=C/N(COC)Cc1cc(Cl)nnc1OC
InChIInChI=1S/C10H15ClN4O2/c1-12-6-15(7-16-2)5-8-4-9(11)13-14-10(8)17-3/h4,6H,5,7H2,1-3H3/b12-6+
InChIKeyHILWKGMKBSPAKB-WUXMJOGZSA-N
MW258.71 g/mol
LogP1.20
Rot. Bonds6

About N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide

N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide (PubChem CID 134361087) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide
PubChem CID134361087
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC NameN-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide
SMILESC/N=C/N(COC)Cc1cc(Cl)nnc1OC
InChIInChI=1S/C10H15ClN4O2/c1-12-6-15(7-16-2)5-8-4-9(11)13-14-10(8)17-3/h4,6H,5,7H2,1-3H3/b12-6+
InChIKeyHILWKGMKBSPAKB-WUXMJOGZSA-N
XLogP1.20
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide?
The IUPAC name of N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide (CID 134361087) is N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide.
What is the SMILES notation for N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide?
The canonical SMILES for N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide is C/N=C/N(COC)Cc1cc(Cl)nnc1OC.
What is the InChIKey of N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide?
The InChIKey is HILWKGMKBSPAKB-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-12-6-15(7-16-2)5-8-4-9(11)13-14-10(8)17-3/h4,6H,5,7H2,1-3H3/b12-6+.
What are the key properties of N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide?
N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide has a molecular weight of 258.71 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-methoxypyridazin-4-yl)methyl]-N-(methoxymethyl)-N'-methylmethanimidamide is sourced from PubChem (CID 134361087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).