N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H22N6 — CID 133309557

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCN(C)Cc1cccc(CNc2ccc3nnc(C)n3n2)c1
InChIInChI=1S/C17H22N6/c1-4-22(3)12-15-7-5-6-14(10-15)11-18-16-8-9-17-20-19-13(2)23(17)21-16/h5-10H,4,11-12H2,1-3H3,(H,18,21)
InChIKeyUTJNJSIQQGVYNP-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.50
Rot. Bonds6

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133309557) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133309557
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCN(C)Cc1cccc(CNc2ccc3nnc(C)n3n2)c1
InChIInChI=1S/C17H22N6/c1-4-22(3)12-15-7-5-6-14(10-15)11-18-16-8-9-17-20-19-13(2)23(17)21-16/h5-10H,4,11-12H2,1-3H3,(H,18,21)
InChIKeyUTJNJSIQQGVYNP-UHFFFAOYSA-N
XLogP2.50
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-diethyl-3-phenyl-
CID 3071195
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-ethyl-N-methyl-3-phenyl-
CID 3071198
Akt-l-1
CID 10271028
BS-181
CID 49867929
L-Moses
CID 131698638
DPP-4 inhibitor 3
CID 155524302
N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3813473
N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743063
N',N'-dimethyl-N-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
CID 1970320
N-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4366552

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133309557) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCN(C)Cc1cccc(CNc2ccc3nnc(C)n3n2)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is UTJNJSIQQGVYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-4-22(3)12-15-7-5-6-14(10-15)11-18-16-8-9-17-20-19-13(2)23(17)21-16/h5-10H,4,11-12H2,1-3H3,(H,18,21).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 310.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133309557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).