N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H21N7O — CID 36835462

IUPACN-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1cccc([C@@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1
InChIInChI=1S/C17H21N7O/c1-13-3-2-4-14(11-13)15(23-7-9-25-10-8-23)12-18-16-5-6-17-19-21-22-24(17)20-16/h2-6,11,15H,7-10,12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyWGTDSXIUBCKGEI-OAHLLOKOSA-N
MW339.40 g/mol
LogP1.31
Rot. Bonds5

About N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 36835462) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID36835462
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1cccc([C@@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1
InChIInChI=1S/C17H21N7O/c1-13-3-2-4-14(11-13)15(23-7-9-25-10-8-23)12-18-16-5-6-17-19-21-22-24(17)20-16/h2-6,11,15H,7-10,12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyWGTDSXIUBCKGEI-OAHLLOKOSA-N
XLogP1.31
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51535949
6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
CID 122047741
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928967
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 92813665
N-(2-methyl-2-morpholin-4-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 17449664
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
CID 78871346
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 36835462) is N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1cccc([C@@H](CNc2ccc3nnnn3n2)N2CCOCC2)c1.
What is the InChIKey of N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is WGTDSXIUBCKGEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N7O/c1-13-3-2-4-14(11-13)15(23-7-9-25-10-8-23)12-18-16-5-6-17-19-21-22-24(17)20-16/h2-6,11,15H,7-10,12H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 339.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 36835462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).