N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

C22H30N6 — CID 10271028

IUPACN-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nn2c(-c3ccccc3)nnc2cc1C1CCC1
InChIInChI=1S/C22H30N6/c1-22(2,15-27(3)4)14-23-20-18(16-11-8-12-16)13-19-24-25-21(28(19)26-20)17-9-6-5-7-10-17/h5-7,9-10,13,16H,8,11-12,14-15H2,1-4H3,(H,23,26)
InChIKeyFKCXKEHHZXEWGP-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.06
Rot. Bonds7

About N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 10271028) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID10271028
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC NameN-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nn2c(-c3ccccc3)nnc2cc1C1CCC1
InChIInChI=1S/C22H30N6/c1-22(2,15-27(3)4)14-23-20-18(16-11-8-12-16)13-19-24-25-21(28(19)26-20)17-9-6-5-7-10-17/h5-7,9-10,13,16H,8,11-12,14-15H2,1-4H3,(H,23,26)
InChIKeyFKCXKEHHZXEWGP-UHFFFAOYSA-N
XLogP4.06
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine with MolForge

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Related Compounds

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
BS-181
CID 49867929
L-Moses
CID 131698638
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-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4366552
N-(4-methylbenzyl)-3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 2727469
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-methyl-3-phenyl-
CID 3071189
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-ethyl-3-phenyl-
CID 3071190
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-(1-methylethyl)-3-phenyl-
CID 3071191

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 10271028) is N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1nn2c(-c3ccccc3)nnc2cc1C1CCC1.
What is the InChIKey of N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is FKCXKEHHZXEWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-22(2,15-27(3)4)14-23-20-18(16-11-8-12-16)13-19-24-25-21(28(19)26-20)17-9-6-5-7-10-17/h5-7,9-10,13,16H,8,11-12,14-15H2,1-4H3,(H,23,26).
What are the key properties of N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 378.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 10271028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).