1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C18H26N8 — CID 126922614

IUPAC1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCC2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)cn1
InChIInChI=1S/C18H26N8/c1-18(2,3)17-22-21-15-5-6-16(23-26(15)17)25-11-14(12-25)8-19-7-13-9-20-24(4)10-13/h5-6,9-10,14,19H,7-8,11-12H2,1-4H3
InChIKeyYFHMLFVEVZCUAW-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.38
Rot. Bonds5

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

1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 126922614) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID126922614
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC Name1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCC2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)cn1
InChIInChI=1S/C18H26N8/c1-18(2,3)17-22-21-15-5-6-16(23-26(15)17)25-11-14(12-25)8-19-7-13-9-20-24(4)10-13/h5-6,9-10,14,19H,7-8,11-12H2,1-4H3
InChIKeyYFHMLFVEVZCUAW-UHFFFAOYSA-N
XLogP1.38
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

3-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]benzonitrile
CID 126922513
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thian-4-amine
CID 126922606
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-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 126922369
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 126922482
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide
CID 133492226
1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 126921649
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126922637
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol
CID 67340864
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126922397

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 126922614) is 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNCC2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)cn1.
What is the InChIKey of 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is YFHMLFVEVZCUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8/c1-18(2,3)17-22-21-15-5-6-16(23-26(15)17)25-11-14(12-25)8-19-7-13-9-20-24(4)10-13/h5-6,9-10,14,19H,7-8,11-12H2,1-4H3.
What are the key properties of 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 354.46 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 126922614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).