1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine

C13H19N5 — CID 116822448

IUPAC1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine
SMILESCNCc1nnc2ccc(C3CCCCC3)nn12
InChIInChI=1S/C13H19N5/c1-14-9-13-16-15-12-8-7-11(17-18(12)13)10-5-3-2-4-6-10/h7-8,10,14H,2-6,9H2,1H3
InChIKeyUUYCKKHAOMHLIT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.89
Rot. Bonds3

About 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine

1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine (PubChem CID 116822448) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine
PubChem CID116822448
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine
SMILESCNCc1nnc2ccc(C3CCCCC3)nn12
InChIInChI=1S/C13H19N5/c1-14-9-13-16-15-12-8-7-11(17-18(12)13)10-5-3-2-4-6-10/h7-8,10,14H,2-6,9H2,1H3
InChIKeyUUYCKKHAOMHLIT-UHFFFAOYSA-N
XLogP1.89
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine
CID 116822454
2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 116822338
1-[6-(4-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-methylmethanamine
CID 116822434
3-bromo-6-cyclopentylimidazo[1,2-b]pyridazine
CID 116854727
N-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]cyclohexanecarboxamide
CID 91893591
2-(6-cyclopentylimidazo[1,2-b]pyridazin-3-yl)ethanamine
CID 116854597
N-methyl-2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 116822351
3-[4-[[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-1-yl]methyl]phenyl]cyclobutan-1-one
CID 166308635
2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile
CID 116971897
4-cyclohexyl-3-(methylaminomethyl)-1H-1,2,4-triazole-5-thione
CID 83892612
3-cyclopentyl-1-methylpyrazole
CID 23300003
6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911035

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine (CID 116822448) is 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine is CNCc1nnc2ccc(C3CCCCC3)nn12.
What is the InChIKey of 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine?
The InChIKey is UUYCKKHAOMHLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-14-9-13-16-15-12-8-7-11(17-18(12)13)10-5-3-2-4-6-10/h7-8,10,14H,2-6,9H2,1H3.
What are the key properties of 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine?
1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 116822448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).