3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C11H15N5O — CID 95244110

IUPAC3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(N[C@H]3CCCOC3)nn12
InChIInChI=1S/C11H15N5O/c1-8-13-14-11-5-4-10(15-16(8)11)12-9-3-2-6-17-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,12,15)/t9-/m0/s1
InChIKeyAYPUXRNDVYEAJG-VIFPVBQESA-N
MW233.27 g/mol
LogP1.02
Rot. Bonds2

About 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 95244110) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID95244110
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(N[C@H]3CCCOC3)nn12
InChIInChI=1S/C11H15N5O/c1-8-13-14-11-5-4-10(15-16(8)11)12-9-3-2-6-17-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,12,15)/t9-/m0/s1
InChIKeyAYPUXRNDVYEAJG-VIFPVBQESA-N
XLogP1.02
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39339122
3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71870989
N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
CID 79208062
N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 167228039
N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133453499
3-methyl-N-(3-morpholin-4-ylbutan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133294787
2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939250
6-methoxy-2-N-(oxan-3-yl)pyridine-2,5-diamine
CID 63359888
N-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372562
2-methyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
CID 136956674
2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine
CID 95846708
2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 60520984

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 95244110) is 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(N[C@H]3CCCOC3)nn12.
What is the InChIKey of 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is AYPUXRNDVYEAJG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-13-14-11-5-4-10(15-16(8)11)12-9-3-2-6-17-7-9/h4-5,9H,2-3,6-7H2,1H3,(H,12,15)/t9-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 233.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 95244110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).