3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione

C11H10N4O2 — CID 143485370

IUPAC3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(Cc2ncn[nH]2)C1=O
InChIInChI=1S/C11H10N4O2/c1-3-7-8(4-2)11(17)15(10(7)16)5-9-12-6-13-14-9/h3-4,6H,1-2,5H2,(H,12,13,14)
InChIKeyCYOQBDRGLBXWSY-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.34
Rot. Bonds4

About 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione

3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione (PubChem CID 143485370) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
PubChem CID143485370
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(Cc2ncn[nH]2)C1=O
InChIInChI=1S/C11H10N4O2/c1-3-7-8(4-2)11(17)15(10(7)16)5-9-12-6-13-14-9/h3-4,6H,1-2,5H2,(H,12,13,14)
InChIKeyCYOQBDRGLBXWSY-UHFFFAOYSA-N
XLogP0.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 54884799
3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885098
1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 54885291
1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
CID 60975201
3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
CID 60975649
(2E,4E)-N-(1H-1,2,4-triazol-5-ylmethyl)hexa-2,4-dienamide
CID 60981851
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 60982797
3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)but-2-enamide
CID 60982819
(E)-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pent-2-enamide
CID 60983051
6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 60983558
3,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
CID 63267196
2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 64509899

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione (CID 143485370) is 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione is C=CC1=C(C=C)C(=O)N(Cc2ncn[nH]2)C1=O.
What is the InChIKey of 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione?
The InChIKey is CYOQBDRGLBXWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-3-7-8(4-2)11(17)15(10(7)16)5-9-12-6-13-14-9/h3-4,6H,1-2,5H2,(H,12,13,14).
What are the key properties of 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione?
3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione has a molecular weight of 230.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 143485370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).