N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine

C18H24N6O — CID 166237978

IUPACN'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(N)CNc1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C18H24N6O/c1-18(2,3)17-22-21-16-10-9-15(23-24(16)17)20-11-13(19)12-7-5-6-8-14(12)25-4/h5-10,13H,11,19H2,1-4H3,(H,20,23)
InChIKeyIEEAMVBABJELPO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.54
Rot. Bonds5

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

N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 166237978) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine
PubChem CID166237978
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(N)CNc1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C18H24N6O/c1-18(2,3)17-22-21-16-10-9-15(23-24(16)17)20-11-13(19)12-7-5-6-8-14(12)25-4/h5-10,13H,11,19H2,1-4H3,(H,20,23)
InChIKeyIEEAMVBABJELPO-UHFFFAOYSA-N
XLogP2.54
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488187
N-[1-(2-bromophenyl)ethyl]-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488915
(1R)-1-(2-chlorophenyl)-N,N-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine
CID 35916554
(1R)-1-(2-fluorophenyl)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
CID 94809269
3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 127922082
3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136547851
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 92813665
methyl 3-[[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]benzoate
CID 133493565
N-[2-(2-ethoxyphenyl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133289745
N,2-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]propane-1,3-diamine
CID 106950639
(1S)-1-(furan-2-yl)-N,N-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine
CID 94805960
3-tert-butyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489399

Frequently Asked Questions

What is the IUPAC name of N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine (CID 166237978) is N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine is COc1ccccc1C(N)CNc1ccc2nnc(C(C)(C)C)n2n1.
What is the InChIKey of N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is IEEAMVBABJELPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-18(2,3)17-22-21-16-10-9-15(23-24(16)17)20-11-13(19)12-7-5-6-8-14(12)25-4/h5-10,13H,11,19H2,1-4H3,(H,20,23).
What are the key properties of N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine?
N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 340.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 166237978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).