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

C8H8N4O2 — CID 60975649

IUPAC3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2ncn[nH]2)C1=O
InChIInChI=1S/C8H8N4O2/c1-5-2-7(13)12(8(5)14)3-6-9-4-10-11-6/h2,4H,3H2,1H3,(H,9,10,11)
InChIKeyVZCUCUVPILOTFZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.38
Rot. Bonds2

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

3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione (PubChem CID 60975649) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
PubChem CID60975649
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Cc2ncn[nH]2)C1=O
InChIInChI=1S/C8H8N4O2/c1-5-2-7(13)12(8(5)14)3-6-9-4-10-11-6/h2,4H,3H2,1H3,(H,9,10,11)
InChIKeyVZCUCUVPILOTFZ-UHFFFAOYSA-N
XLogP-0.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.38
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

3,4-bis(ethenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
CID 143485370
1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 54884969
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-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrole-2,5-dione
CID 60976709
3-Methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2,5-dione
CID 60976860
(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
(E)-N-(1H-1,2,4-triazol-5-ylmethyl)but-2-enamide
CID 60983564

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione (CID 60975649) is 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione is CC1=CC(=O)N(Cc2ncn[nH]2)C1=O.
What is the InChIKey of 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione?
The InChIKey is VZCUCUVPILOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5-2-7(13)12(8(5)14)3-6-9-4-10-11-6/h2,4H,3H2,1H3,(H,9,10,11).
What are the key properties of 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione?
3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione has a molecular weight of 192.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 60975649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).