5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione

C6H6N4O2 — CID 135621438

IUPAC5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione
SMILESCc1cc(=O)n2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C6H6N4O2/c1-3-2-4(11)10-5(7-3)8-6(12)9-10/h2H,1H3,(H2,7,8,9,12)
InChIKeyNQXLJGOFNSNCDS-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.98
Rot. Bonds

About 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione

5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 135621438) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID135621438
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione
SMILESCc1cc(=O)n2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C6H6N4O2/c1-3-2-4(11)10-5(7-3)8-6(12)9-10/h2H,1H3,(H2,7,8,9,12)
InChIKeyNQXLJGOFNSNCDS-UHFFFAOYSA-N
XLogP-0.98
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione (CID 135621438) is 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione is Cc1cc(=O)n2[nH]c(=O)[nH]c2n1.
What is the InChIKey of 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is NQXLJGOFNSNCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-3-2-4(11)10-5(7-3)8-6(12)9-10/h2H,1H3,(H2,7,8,9,12).
What are the key properties of 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione?
5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 166.14 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 135621438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).