4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine

C15H19N9 — CID 126920285

IUPAC4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCC2CN(c3ccc4nncn4n3)C2)ncn1
InChIInChI=1S/C15H19N9/c1-22(2)15-5-12(17-9-18-15)16-6-11-7-23(8-11)14-4-3-13-20-19-10-24(13)21-14/h3-5,9-11H,6-8H2,1-2H3,(H,16,17,18)
InChIKeyBFGDMXGPEFGMNS-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.53
Rot. Bonds5

About 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine (PubChem CID 126920285) has the molecular formula C15H19N9 and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine
PubChem CID126920285
Molecular FormulaC15H19N9
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCC2CN(c3ccc4nncn4n3)C2)ncn1
InChIInChI=1S/C15H19N9/c1-22(2)15-5-12(17-9-18-15)16-6-11-7-23(8-11)14-4-3-13-20-19-10-24(13)21-14/h3-5,9-11H,6-8H2,1-2H3,(H,16,17,18)
InChIKeyBFGDMXGPEFGMNS-UHFFFAOYSA-N
XLogP0.53
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126917843
4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888461
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920247
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126920280
3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine
CID 126920272
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 126920249
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine
CID 126920310
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920305
6-(5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155798898
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920240
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine (CID 126920285) is 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine is CN(C)c1cc(NCC2CN(c3ccc4nncn4n3)C2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine?
The InChIKey is BFGDMXGPEFGMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N9/c1-22(2)15-5-12(17-9-18-15)16-6-11-7-23(8-11)14-4-3-13-20-19-10-24(13)21-14/h3-5,9-11H,6-8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine has a molecular weight of 325.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126920285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).