3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine

C15H21N3 — CID 88534420

IUPAC3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine
SMILESC#Cc1ccc(N2CCC(C)C(C(C)C)C2)nn1
InChIInChI=1S/C15H21N3/c1-5-13-6-7-15(17-16-13)18-9-8-12(4)14(10-18)11(2)3/h1,6-7,11-12,14H,8-10H2,2-4H3
InChIKeyCRPLDVRWSLTZQJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.58
Rot. Bonds2

About 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine

3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine (PubChem CID 88534420) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine
PubChem CID88534420
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine
SMILESC#Cc1ccc(N2CCC(C)C(C(C)C)C2)nn1
InChIInChI=1S/C15H21N3/c1-5-13-6-7-15(17-16-13)18-9-8-12(4)14(10-18)11(2)3/h1,6-7,11-12,14H,8-10H2,2-4H3
InChIKeyCRPLDVRWSLTZQJ-UHFFFAOYSA-N
XLogP2.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethynyl-6-(3-fluoro-4-propan-2-ylpiperidin-1-yl)pyridazine
CID 89449483
3-ethynyl-6-pyrrolidin-1-ylpyridazine
CID 89272201
N-[(3R)-1-(6-ethynylpyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
CID 158681242
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-6-methylpyridazine
CID 67965093
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
tert-butyl 4-(6-ethynylpyridazin-3-yl)piperazine-1-carboxylate
CID 99978985
3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 162588651
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
CID 141208354
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
2-[(3S)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-ol
CID 164633990

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine (CID 88534420) is 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine is C#Cc1ccc(N2CCC(C)C(C(C)C)C2)nn1.
What is the InChIKey of 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine?
The InChIKey is CRPLDVRWSLTZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-13-6-7-15(17-16-13)18-9-8-12(4)14(10-18)11(2)3/h1,6-7,11-12,14H,8-10H2,2-4H3.
What are the key properties of 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine?
3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine has a molecular weight of 243.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-6-(4-methyl-3-propan-2-ylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 88534420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).