N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine

C21H29N9 — CID 126923078

IUPACN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
SMILESCN1CCc2nnc(N(C)C3CN(c4ccc5nnc(C(C)(C)C)n5n4)C3)cc2C1
InChIInChI=1S/C21H29N9/c1-21(2,3)20-25-23-17-6-7-18(26-30(17)20)29-12-15(13-29)28(5)19-10-14-11-27(4)9-8-16(14)22-24-19/h6-7,10,15H,8-9,11-13H2,1-5H3
InChIKeyJNPJPDNINQZIEP-UHFFFAOYSA-N
MW407.53 g/mol
LogP1.52
Rot. Bonds3

About N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine (PubChem CID 126923078) has the molecular formula C21H29N9 and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
PubChem CID126923078
Molecular FormulaC21H29N9
Molecular Weight407.53 g/mol
Exact Mass407.25
IUPAC NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
SMILESCN1CCc2nnc(N(C)C3CN(c4ccc5nnc(C(C)(C)C)n5n4)C3)cc2C1
InChIInChI=1S/C21H29N9/c1-21(2,3)20-25-23-17-6-7-18(26-30(17)20)29-12-15(13-29)28(5)19-10-14-11-27(4)9-8-16(14)22-24-19/h6-7,10,15H,8-9,11-13H2,1-5H3
InChIKeyJNPJPDNINQZIEP-UHFFFAOYSA-N
XLogP1.52
TPSA78.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine with MolForge

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Related Compounds

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
CID 126922829
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
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 126922991
5-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 126922963
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclobutyl-N-methylpyrimidin-4-amine
CID 126923016
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126922978
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxan-4-ylmethyl)azetidin-3-amine
CID 126922982
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126918184
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126923012
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]cyclohexan-1-ol
CID 126923036
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyltriazol-4-yl)methyl]azetidin-3-amine
CID 126922835
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-5-ylmethyl)azetidin-3-amine
CID 126922877

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine (CID 126923078) is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine.
What is the SMILES notation for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The canonical SMILES for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine is CN1CCc2nnc(N(C)C3CN(c4ccc5nnc(C(C)(C)C)n5n4)C3)cc2C1.
What is the InChIKey of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The InChIKey is JNPJPDNINQZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N9/c1-21(2,3)20-25-23-17-6-7-18(26-30(17)20)29-12-15(13-29)28(5)19-10-14-11-27(4)9-8-16(14)22-24-19/h6-7,10,15H,8-9,11-13H2,1-5H3.
What are the key properties of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine has a molecular weight of 407.53 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 126923078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).