N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H24N8 — CID 126917817

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCC3CN(c4ccc(C(C)(C)C)nn4)C3)nn12
InChIInChI=1S/C18H24N8/c1-12-20-23-17-8-6-15(24-26(12)17)19-9-13-10-25(11-13)16-7-5-14(21-22-16)18(2,3)4/h5-8,13H,9-11H2,1-4H3,(H,19,24)
InChIKeyKQWVBIACDGZUAY-UHFFFAOYSA-N
MW352.45 g/mol
LogP2.07
Rot. Bonds4

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 126917817) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID126917817
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCC3CN(c4ccc(C(C)(C)C)nn4)C3)nn12
InChIInChI=1S/C18H24N8/c1-12-20-23-17-8-6-15(24-26(12)17)19-9-13-10-25(11-13)16-7-5-14(21-22-16)18(2,3)4/h5-8,13H,9-11H2,1-4H3,(H,19,24)
InChIKeyKQWVBIACDGZUAY-UHFFFAOYSA-N
XLogP2.07
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126922492
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126917843
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126917974
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
CID 126917924
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126917753
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 126917981
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine
CID 126918445
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
CID 126918010
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 126917880
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 126917112
5,6-dimethyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126921065

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 126917817) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NCC3CN(c4ccc(C(C)(C)C)nn4)C3)nn12.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KQWVBIACDGZUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-12-20-23-17-8-6-15(24-26(12)17)19-9-13-10-25(11-13)16-7-5-14(21-22-16)18(2,3)4/h5-8,13H,9-11H2,1-4H3,(H,19,24).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 352.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 126917817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).