6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione

C17H15N5O5 — CID 2436064

IUPAC6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C17H15N5O5/c23-11-9-13(27-12-4-2-1-3-10(11)12)16(25)22-7-5-21(6-8-22)14-15(24)18-17(26)20-19-14/h1-4,9H,5-8H2,(H2,18,20,24,26)
InChIKeyDWOYCECFNYUTLL-UHFFFAOYSA-N
MW369.34 g/mol
LogP-0.47
Rot. Bonds2

About 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione

6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 2436064) has the molecular formula C17H15N5O5 and a molecular weight of 369.34 g/mol. Its IUPAC name is 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID2436064
Molecular FormulaC17H15N5O5
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC Name6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C17H15N5O5/c23-11-9-13(27-12-4-2-1-3-10(11)12)16(25)22-7-5-21(6-8-22)14-15(24)18-17(26)20-19-14/h1-4,9H,5-8H2,(H2,18,20,24,26)
InChIKeyDWOYCECFNYUTLL-UHFFFAOYSA-N
XLogP-0.47
TPSA132.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

N-(2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)-4-oxo-4H-chromene-2-carboxamide
CID 90541527
4-(4-Oxochromene-2-carbonyl)piperazin-2-one
CID 40231399
CID 10246747
CID 10246747
2-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55461412
4-(4-Oxochromene-2-carbonyl)piperazine-2,6-dione
CID 66083789
4-isopropyl-1-methyl-3-(1-(4-oxo-4H-chromene-2-carbonyl)piperidin-3-yl)-1H-1,2,4-triazol-5(4H)-one
CID 90541265
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]acetamide
CID 110511749
4-ethyl-1-(2-methoxyethyl)-3-(1-(4-oxo-4H-chromene-2-carbonyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one
CID 121115243
6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one
CID 166328625
6-[(4aS,7aS)-1-(4-oxochromene-2-carbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-6-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167774414

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 2436064) is 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione is O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DWOYCECFNYUTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5/c23-11-9-13(27-12-4-2-1-3-10(11)12)16(25)22-7-5-21(6-8-22)14-15(24)18-17(26)20-19-14/h1-4,9H,5-8H2,(H2,18,20,24,26).
What are the key properties of 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 369.34 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 2436064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).