(3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol

C12H21N5O — CID 70991791

IUPAC(3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol
SMILESCNc1ccc(N2CC[C@@H](O)[C@H](N(C)C)C2)nn1
InChIInChI=1S/C12H21N5O/c1-13-11-4-5-12(15-14-11)17-7-6-10(18)9(8-17)16(2)3/h4-5,9-10,18H,6-8H2,1-3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyDEFMKNIRAQYOMO-NXEZZACHSA-N
MW251.33 g/mol
LogP0.02
Rot. Bonds3

About (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol

(3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol (PubChem CID 70991791) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol
PubChem CID70991791
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol
SMILESCNc1ccc(N2CC[C@@H](O)[C@H](N(C)C)C2)nn1
InChIInChI=1S/C12H21N5O/c1-13-11-4-5-12(15-14-11)17-7-6-10(18)9(8-17)16(2)3/h4-5,9-10,18H,6-8H2,1-3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyDEFMKNIRAQYOMO-NXEZZACHSA-N
XLogP0.02
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol (CID 70991791) is (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol is CNc1ccc(N2CC[C@@H](O)[C@H](N(C)C)C2)nn1.
What is the InChIKey of (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol?
The InChIKey is DEFMKNIRAQYOMO-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21N5O/c1-13-11-4-5-12(15-14-11)17-7-6-10(18)9(8-17)16(2)3/h4-5,9-10,18H,6-8H2,1-3H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol?
(3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol has a molecular weight of 251.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(dimethylamino)-1-[6-(methylamino)pyridazin-3-yl]piperidin-4-ol is sourced from PubChem (CID 70991791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).