3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

C16H26N6O2 — CID 153429378

IUPAC3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCCCC1CN(CC2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)NN1
InChIInChI=1S/C16H26N6O2/c1-2-4-13-11-22(20-17-13)10-12-5-3-8-21(9-12)16(24)14-6-7-15(23)19-18-14/h6-7,12-13,17,20H,2-5,8-11H2,1H3,(H,19,23)
InChIKeyJDEYSDMGDMBSNH-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.12
Rot. Bonds5

About 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 153429378) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID153429378
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCCCC1CN(CC2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)NN1
InChIInChI=1S/C16H26N6O2/c1-2-4-13-11-22(20-17-13)10-12-5-3-8-21(9-12)16(24)14-6-7-15(23)19-18-14/h6-7,12-13,17,20H,2-5,8-11H2,1H3,(H,19,23)
InChIKeyJDEYSDMGDMBSNH-UHFFFAOYSA-N
XLogP0.12
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 153429378) is 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is CCCC1CN(CC2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)NN1.
What is the InChIKey of 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is JDEYSDMGDMBSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-2-4-13-11-22(20-17-13)10-12-5-3-8-21(9-12)16(24)14-6-7-15(23)19-18-14/h6-7,12-13,17,20H,2-5,8-11H2,1H3,(H,19,23).
What are the key properties of 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 334.42 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-propyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 153429378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).