8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione

C7H8N4O2 — CID 4049729

IUPAC8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione
SMILESCc1cc(=O)n2c(n1)NNC(=O)C2
InChIInChI=1S/C7H8N4O2/c1-4-2-6(13)11-3-5(12)9-10-7(11)8-4/h2H,3H2,1H3,(H,8,10)(H,9,12)
InChIKeyIIDKSBNAGASKIR-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.99
Rot. Bonds

About 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione

8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione (PubChem CID 4049729) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione.

Molecular Properties

Compound Name8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione
PubChem CID4049729
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione
SMILESCc1cc(=O)n2c(n1)NNC(=O)C2
InChIInChI=1S/C7H8N4O2/c1-4-2-6(13)11-3-5(12)9-10-7(11)8-4/h2H,3H2,1H3,(H,8,10)(H,9,12)
InChIKeyIIDKSBNAGASKIR-UHFFFAOYSA-N
XLogP-0.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione?
The IUPAC name of 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione (CID 4049729) is 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione.
What is the SMILES notation for 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione?
The canonical SMILES for 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione is Cc1cc(=O)n2c(n1)NNC(=O)C2.
What is the InChIKey of 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione?
The InChIKey is IIDKSBNAGASKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-4-2-6(13)11-3-5(12)9-10-7(11)8-4/h2H,3H2,1H3,(H,8,10)(H,9,12).
What are the key properties of 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione?
8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione has a molecular weight of 180.17 g/mol, XLogP of -0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,4-dihydro-1H-pyrimido[2,1-c][1,2,4]triazine-3,6-dione is sourced from PubChem (CID 4049729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).