2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine

C13H17N5O — CID 133290493

IUPAC2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
SMILESCc1ccn(-c2ccc(N3CCOC(C)C3)nn2)n1
InChIInChI=1S/C13H17N5O/c1-10-5-6-18(16-10)13-4-3-12(14-15-13)17-7-8-19-11(2)9-17/h3-6,11H,7-9H2,1-2H3
InChIKeyYOVLMPIOYBOAOB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.20
Rot. Bonds2

About 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine

2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine (PubChem CID 133290493) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
PubChem CID133290493
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
SMILESCc1ccn(-c2ccc(N3CCOC(C)C3)nn2)n1
InChIInChI=1S/C13H17N5O/c1-10-5-6-18(16-10)13-4-3-12(14-15-13)17-7-8-19-11(2)9-17/h3-6,11H,7-9H2,1-2H3
InChIKeyYOVLMPIOYBOAOB-UHFFFAOYSA-N
XLogP1.20
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine
CID 61255944
2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133330395
3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 71925586
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
CID 133379484
3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133448651
9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 167982921
3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133317757
5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942755
3-(3-fluoro-2,5-dihydropyrrol-1-yl)-6-(3-methylpyrazol-1-yl)pyridazine
CID 166313785
(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
CID 169237077
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
(2R)-4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
CID 95463966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The IUPAC name of 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine (CID 133290493) is 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The canonical SMILES for 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine is Cc1ccn(-c2ccc(N3CCOC(C)C3)nn2)n1.
What is the InChIKey of 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The InChIKey is YOVLMPIOYBOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-5-6-18(16-10)13-4-3-12(14-15-13)17-7-8-19-11(2)9-17/h3-6,11H,7-9H2,1-2H3.
What are the key properties of 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine?
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 133290493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).