7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione

C6H7N3O2 — CID 10397016

IUPAC7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
SMILESO=c1nc2n(c(=O)[nH]1)CCC2
InChIInChI=1S/C6H7N3O2/c10-5-7-4-2-1-3-9(4)6(11)8-5/h1-3H2,(H,8,10,11)
InChIKeyGZPKTTTZWAHRJY-UHFFFAOYSA-N
MW153.14 g/mol
LogP-1.12
Rot. Bonds

About 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione

7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 10397016) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID10397016
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
SMILESO=c1nc2n(c(=O)[nH]1)CCC2
InChIInChI=1S/C6H7N3O2/c10-5-7-4-2-1-3-9(4)6(11)8-5/h1-3H2,(H,8,10,11)
InChIKeyGZPKTTTZWAHRJY-UHFFFAOYSA-N
XLogP-1.12
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione (CID 10397016) is 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione is O=c1nc2n(c(=O)[nH]1)CCC2.
What is the InChIKey of 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is GZPKTTTZWAHRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-5-7-4-2-1-3-9(4)6(11)8-5/h1-3H2,(H,8,10,11).
What are the key properties of 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione?
7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 153.14 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 10397016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).