(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine

C14H21N7O — CID 95580708

IUPAC(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
SMILESC[C@H]1CN(C2CCN(c3ccc4nnnn4n3)CC2)CCO1
InChIInChI=1S/C14H21N7O/c1-11-10-20(8-9-22-11)12-4-6-19(7-5-12)14-3-2-13-15-17-18-21(13)16-14/h2-3,11-12H,4-10H2,1H3/t11-/m0/s1
InChIKeySSOLORVUSYJONZ-NSHDSACASA-N
MW303.37 g/mol
LogP0.21
Rot. Bonds2

About (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine

(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine (PubChem CID 95580708) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
PubChem CID95580708
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
SMILESC[C@H]1CN(C2CCN(c3ccc4nnnn4n3)CC2)CCO1
InChIInChI=1S/C14H21N7O/c1-11-10-20(8-9-22-11)12-4-6-19(7-5-12)14-3-2-13-15-17-18-21(13)16-14/h2-3,11-12H,4-10H2,1H3/t11-/m0/s1
InChIKeySSOLORVUSYJONZ-NSHDSACASA-N
XLogP0.21
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]morpholine
CID 91659969
4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
CID 133271900
6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313984
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine-2-carboxamide
CID 177329084
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
ethane;4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]benzonitrile
CID 177329248
2-(4-methyl-1,3-oxazol-2-yl)-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 177329018
[6-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholin-2-yl]methanol
CID 102935234

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine (CID 95580708) is (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine is C[C@H]1CN(C2CCN(c3ccc4nnnn4n3)CC2)CCO1.
What is the InChIKey of (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine?
The InChIKey is SSOLORVUSYJONZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N7O/c1-11-10-20(8-9-22-11)12-4-6-19(7-5-12)14-3-2-13-15-17-18-21(13)16-14/h2-3,11-12H,4-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine?
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine has a molecular weight of 303.37 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 95580708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).