(2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine

C15H21N5O — CID 97260429

IUPAC(2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine
SMILESCC(C)[C@@H]1CN(c2ccc3nnc(C4CC4)n3n2)CCO1
InChIInChI=1S/C15H21N5O/c1-10(2)12-9-19(7-8-21-12)14-6-5-13-16-17-15(11-3-4-11)20(13)18-14/h5-6,10-12H,3-4,7-9H2,1-2H3/t12-/m0/s1
InChIKeyLMVSAUNDBQSMJQ-LBPRGKRZSA-N
MW287.37 g/mol
LogP1.86
Rot. Bonds3

About (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine

(2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine (PubChem CID 97260429) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine
PubChem CID97260429
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine
SMILESCC(C)[C@@H]1CN(c2ccc3nnc(C4CC4)n3n2)CCO1
InChIInChI=1S/C15H21N5O/c1-10(2)12-9-19(7-8-21-12)14-6-5-13-16-17-15(11-3-4-11)20(13)18-14/h5-6,10-12H,3-4,7-9H2,1-2H3/t12-/m0/s1
InChIKeyLMVSAUNDBQSMJQ-LBPRGKRZSA-N
XLogP1.86
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylmorpholine-2-carboxamide
CID 166600978
4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(3,4-difluorophenyl)morpholine
CID 133294288
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine
CID 126921642
2-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 163344367
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
CID 126912342
5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 126912451
3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
6-(4-bromo-5-methyl-1,3-dihydroisoindol-2-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 166243720
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 134802149
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
CID 126922324

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine?
The IUPAC name of (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine (CID 97260429) is (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine.
What is the SMILES notation for (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine?
The canonical SMILES for (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine is CC(C)[C@@H]1CN(c2ccc3nnc(C4CC4)n3n2)CCO1.
What is the InChIKey of (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine?
The InChIKey is LMVSAUNDBQSMJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)12-9-19(7-8-21-12)14-6-5-13-16-17-15(11-3-4-11)20(13)18-14/h5-6,10-12H,3-4,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine?
(2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine has a molecular weight of 287.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine is sourced from PubChem (CID 97260429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).