N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine

C10H16N6 — CID 164609238

IUPACN,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1ccc2nnc(C)n2n1
InChIInChI=1S/C10H16N6/c1-8-12-13-9-4-5-10(14-16(8)9)15(3)7-6-11-2/h4-5,11H,6-7H2,1-3H3
InChIKeyLCPXELFTDVAXIM-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.09
Rot. Bonds4

About N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine (PubChem CID 164609238) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine
PubChem CID164609238
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1ccc2nnc(C)n2n1
InChIInChI=1S/C10H16N6/c1-8-12-13-9-4-5-10(14-16(8)9)15(3)7-6-11-2/h4-5,11H,6-7H2,1-3H3
InChIKeyLCPXELFTDVAXIM-UHFFFAOYSA-N
XLogP0.09
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine (CID 164609238) is N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine is CNCCN(C)c1ccc2nnc(C)n2n1.
What is the InChIKey of N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine?
The InChIKey is LCPXELFTDVAXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-8-12-13-9-4-5-10(14-16(8)9)15(3)7-6-11-2/h4-5,11H,6-7H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 164609238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).