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

C17H20N6O — CID 95160952

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN1CCO[C@@H](CNc2ccc3nnc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C17H20N6O/c1-22-9-10-24-14(12-22)11-18-15-7-8-16-19-20-17(23(16)21-15)13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyKJQADLNPITUUJT-AWEZNQCLSA-N
MW324.39 g/mol
LogP1.53
Rot. Bonds4

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

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 95160952) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID95160952
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN1CCO[C@@H](CNc2ccc3nnc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C17H20N6O/c1-22-9-10-24-14(12-22)11-18-15-7-8-16-19-20-17(23(16)21-15)13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyKJQADLNPITUUJT-AWEZNQCLSA-N
XLogP1.53
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95160951
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
N-[(4-methylmorpholin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 78986336
N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166296830
3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295114
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381
6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79070964
4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133281937
N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133304991
3-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323
5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 79070897
N-ethyl-6-[(4-methylmorpholin-2-yl)methylamino]-N-phenylpyridine-3-sulfonamide
CID 133280991

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 95160952) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN1CCO[C@@H](CNc2ccc3nnc(-c4ccccc4)n3n2)C1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KJQADLNPITUUJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-9-10-24-14(12-22)11-18-15-7-8-16-19-20-17(23(16)21-15)13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 95160952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).