(3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol

C11H19N5O — CID 70991792

IUPAC(3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol
SMILESCN(C)[C@H]1CN(c2ccc(N)nn2)CC[C@@H]1O
InChIInChI=1S/C11H19N5O/c1-15(2)8-7-16(6-5-9(8)17)11-4-3-10(12)13-14-11/h3-4,8-9,17H,5-7H2,1-2H3,(H2,12,13)/t8-,9-/m0/s1
InChIKeyMWMXENRUAGETGK-IUCAKERBSA-N
MW237.31 g/mol
LogP-0.44
Rot. Bonds2

About (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol

(3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol (PubChem CID 70991792) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol
PubChem CID70991792
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol
SMILESCN(C)[C@H]1CN(c2ccc(N)nn2)CC[C@@H]1O
InChIInChI=1S/C11H19N5O/c1-15(2)8-7-16(6-5-9(8)17)11-4-3-10(12)13-14-11/h3-4,8-9,17H,5-7H2,1-2H3,(H2,12,13)/t8-,9-/m0/s1
InChIKeyMWMXENRUAGETGK-IUCAKERBSA-N
XLogP-0.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol?
The IUPAC name of (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol (CID 70991792) is (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol is CN(C)[C@H]1CN(c2ccc(N)nn2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol?
The InChIKey is MWMXENRUAGETGK-IUCAKERBSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15(2)8-7-16(6-5-9(8)17)11-4-3-10(12)13-14-11/h3-4,8-9,17H,5-7H2,1-2H3,(H2,12,13)/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol?
(3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol has a molecular weight of 237.31 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(6-aminopyridazin-3-yl)-3-(dimethylamino)piperidin-4-ol is sourced from PubChem (CID 70991792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).