(2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

C16H18N6O — CID 134805310

IUPAC(2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESC[C@@H]1CN(c2ccc3nnc(-c4ccccn4)n3n2)C[C@H](C)O1
InChIInChI=1S/C16H18N6O/c1-11-9-21(10-12(2)23-11)15-7-6-14-18-19-16(22(14)20-15)13-5-3-4-8-17-13/h3-8,11-12H,9-10H2,1-2H3/t11-,12+
InChIKeyCMOLDQHNIAMEMQ-TXEJJXNPSA-N
MW310.36 g/mol
LogP1.80
Rot. Bonds2

About (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

(2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (PubChem CID 134805310) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
PubChem CID134805310
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name(2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESC[C@@H]1CN(c2ccc3nnc(-c4ccccn4)n3n2)C[C@H](C)O1
InChIInChI=1S/C16H18N6O/c1-11-9-21(10-12(2)23-11)15-7-6-14-18-19-16(22(14)20-15)13-5-3-4-8-17-13/h3-8,11-12H,9-10H2,1-2H3/t11-,12+
InChIKeyCMOLDQHNIAMEMQ-TXEJJXNPSA-N
XLogP1.80
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (CID 134805310) is (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is C[C@@H]1CN(c2ccc3nnc(-c4ccccn4)n3n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The InChIKey is CMOLDQHNIAMEMQ-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-9-21(10-12(2)23-11)15-7-6-14-18-19-16(22(14)20-15)13-5-3-4-8-17-13/h3-8,11-12H,9-10H2,1-2H3/t11-,12+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine has a molecular weight of 310.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 134805310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).