N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide

C8H10N6 — CID 6399362

IUPACN'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nncc2[nH]cnc12
InChIInChI=1S/C8H10N6/c1-14(2)5-11-8-7-6(3-12-13-8)9-4-10-7/h3-5H,1-2H3,(H,9,10)
InChIKeyTZEWFVURVAKWCP-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.57
Rot. Bonds2

About N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide

N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 6399362) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID6399362
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC NameN'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nncc2[nH]cnc12
InChIInChI=1S/C8H10N6/c1-14(2)5-11-8-7-6(3-12-13-8)9-4-10-7/h3-5H,1-2H3,(H,9,10)
InChIKeyTZEWFVURVAKWCP-UHFFFAOYSA-N
XLogP0.57
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide (CID 6399362) is N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1nncc2[nH]cnc12.
What is the InChIKey of N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is TZEWFVURVAKWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-14(2)5-11-8-7-6(3-12-13-8)9-4-10-7/h3-5H,1-2H3,(H,9,10).
What are the key properties of N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide?
N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 190.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazo[4,5-d]pyridazin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 6399362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).