6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H25N5O4 — CID 167921159

IUPAC6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(C1CCOCC1)N1CCN(C(=O)C2CCc3n[nH]c(=O)n3C2)CC1
InChIInChI=1S/C17H25N5O4/c23-15(12-3-9-26-10-4-12)20-5-7-21(8-6-20)16(24)13-1-2-14-18-19-17(25)22(14)11-13/h12-13H,1-11H2,(H,19,25)
InChIKeyDOQGKBDNQJCELB-UHFFFAOYSA-N
MW363.42 g/mol
LogP-0.77
Rot. Bonds2

About 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 167921159) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID167921159
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(C1CCOCC1)N1CCN(C(=O)C2CCc3n[nH]c(=O)n3C2)CC1
InChIInChI=1S/C17H25N5O4/c23-15(12-3-9-26-10-4-12)20-5-7-21(8-6-20)16(24)13-1-2-14-18-19-17(25)22(14)11-13/h12-13H,1-11H2,(H,19,25)
InChIKeyDOQGKBDNQJCELB-UHFFFAOYSA-N
XLogP-0.77
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 167921159) is 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(C1CCOCC1)N1CCN(C(=O)C2CCc3n[nH]c(=O)n3C2)CC1.
What is the InChIKey of 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DOQGKBDNQJCELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c23-15(12-3-9-26-10-4-12)20-5-7-21(8-6-20)16(24)13-1-2-14-18-19-17(25)22(14)11-13/h12-13H,1-11H2,(H,19,25).
What are the key properties of 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 363.42 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 167921159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).