N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C17H22N6 — CID 176502635

IUPACN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NC(CC(C)(C)C)c2cccnc2)c2nncn2n1
InChIInChI=1S/C17H22N6/c1-12-8-14(16-21-19-11-23(16)22-12)20-15(9-17(2,3)4)13-6-5-7-18-10-13/h5-8,10-11,15,20H,9H2,1-4H3
InChIKeyGPVGFKUQFZOPRQ-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.42
Rot. Bonds4

About N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176502635) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176502635
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NC(CC(C)(C)C)c2cccnc2)c2nncn2n1
InChIInChI=1S/C17H22N6/c1-12-8-14(16-21-19-11-23(16)22-12)20-15(9-17(2,3)4)13-6-5-7-18-10-13/h5-8,10-11,15,20H,9H2,1-4H3
InChIKeyGPVGFKUQFZOPRQ-UHFFFAOYSA-N
XLogP3.42
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

N-[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97192507
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
5-chloro-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-fluoropyridin-2-amine
CID 134714092
4-(1,3-dimethylpyrazol-4-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyrimidin-2-amine
CID 46990527
4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95721377
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131902711
N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707471
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide
CID 50948802
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176502635) is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1cc(NC(CC(C)(C)C)c2cccnc2)c2nncn2n1.
What is the InChIKey of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is GPVGFKUQFZOPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-12-8-14(16-21-19-11-23(16)22-12)20-15(9-17(2,3)4)13-6-5-7-18-10-13/h5-8,10-11,15,20H,9H2,1-4H3.
What are the key properties of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 310.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176502635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).