[(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone

C13H16N6O — CID 97414830

IUPAC[(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C13H16N6O/c1-10-4-2-3-7-18(10)13(20)11-5-6-12(17-16-11)19-9-14-8-15-19/h5-6,8-10H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyLZDYBBLTDPOUFQ-JTQLQIEISA-N
MW272.31 g/mol
LogP1.07
Rot. Bonds2

About [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone

[(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone (PubChem CID 97414830) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone
PubChem CID97414830
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name[(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C13H16N6O/c1-10-4-2-3-7-18(10)13(20)11-5-6-12(17-16-11)19-9-14-8-15-19/h5-6,8-10H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyLZDYBBLTDPOUFQ-JTQLQIEISA-N
XLogP1.07
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone with MolForge

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Related Compounds

[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600945
(1-methylpiperidin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145994
(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573692
cyclohex-3-en-1-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719895
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 104642325
N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601280
[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 97094220

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone?
The IUPAC name of [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone (CID 97414830) is [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone?
The canonical SMILES for [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone is C[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)nn1.
What is the InChIKey of [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone?
The InChIKey is LZDYBBLTDPOUFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N6O/c1-10-4-2-3-7-18(10)13(20)11-5-6-12(17-16-11)19-9-14-8-15-19/h5-6,8-10H,2-4,7H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone?
[(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone has a molecular weight of 272.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperidin-1-yl]-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 97414830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).