N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H20N10 — CID 126921212

IUPACN,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)C2CN(c3ccc4nnc(C)n4n3)C2)c1C
InChIInChI=1S/C17H20N10/c1-10-11(2)20-17-18-9-19-27(17)16(10)24(4)13-7-25(8-13)15-6-5-14-22-21-12(3)26(14)23-15/h5-6,9,13H,7-8H2,1-4H3
InChIKeyKHFRVDYGWCFKEZ-UHFFFAOYSA-N
MW364.42 g/mol
LogP0.81
Rot. Bonds3

About N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126921212) has the molecular formula C17H20N10 and a molecular weight of 364.42 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID126921212
Molecular FormulaC17H20N10
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC NameN,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)C2CN(c3ccc4nnc(C)n4n3)C2)c1C
InChIInChI=1S/C17H20N10/c1-10-11(2)20-17-18-9-19-27(17)16(10)24(4)13-7-25(8-13)15-6-5-14-22-21-12(3)26(14)23-15/h5-6,9,13H,7-8H2,1-4H3
InChIKeyKHFRVDYGWCFKEZ-UHFFFAOYSA-N
XLogP0.81
TPSA92.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N,3-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126921210
N,6-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126921215
N,4-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3-thiazol-2-amine
CID 126921508
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 126921451
N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126922761
2-[methyl-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126921480
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
CID 126921226
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyrimidin-4-ylmethyl)azetidin-3-amine
CID 126921334
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921343
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine
CID 126921345
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921350

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 126921212) is N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N(C)C2CN(c3ccc4nnc(C)n4n3)C2)c1C.
What is the InChIKey of N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KHFRVDYGWCFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N10/c1-10-11(2)20-17-18-9-19-27(17)16(10)24(4)13-7-25(8-13)15-6-5-14-22-21-12(3)26(14)23-15/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.42 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126921212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).