3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H27N7 — CID 139008143

IUPAC3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nn(C)c(CC)c1CNc1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C18H27N7/c1-7-13-12(14(8-2)24(6)22-13)11-19-15-9-10-16-20-21-17(18(3,4)5)25(16)23-15/h9-10H,7-8,11H2,1-6H3,(H,19,23)
InChIKeyAQBQEJQIBNTZJZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.89
Rot. Bonds5

About 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 139008143) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID139008143
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nn(C)c(CC)c1CNc1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C18H27N7/c1-7-13-12(14(8-2)24(6)22-13)11-19-15-9-10-16-20-21-17(18(3,4)5)25(16)23-15/h9-10H,7-8,11H2,1-6H3,(H,19,23)
InChIKeyAQBQEJQIBNTZJZ-UHFFFAOYSA-N
XLogP2.89
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133445550
3-tert-butyl-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488187
2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 109482212
3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136547851
3-tert-butyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489716
methyl 3-[[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]benzoate
CID 133493565
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 154752899
3-tert-butyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133490022
N-[1-(2-bromophenyl)ethyl]-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488915
2-ethyl-1-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 106950640
N',N'-diethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine
CID 35870058
3-[3-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137267431

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 139008143) is 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nn(C)c(CC)c1CNc1ccc2nnc(C(C)(C)C)n2n1.
What is the InChIKey of 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is AQBQEJQIBNTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-7-13-12(14(8-2)24(6)22-13)11-19-15-9-10-16-20-21-17(18(3,4)5)25(16)23-15/h9-10H,7-8,11H2,1-6H3,(H,19,23).
What are the key properties of 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 341.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 139008143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).