1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione

C6H5N3O2 — CID 15604988

IUPAC1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
SMILESO=c1[nH]c(=O)c2cccn2[nH]1
InChIInChI=1S/C6H5N3O2/c10-5-4-2-1-3-9(4)8-6(11)7-5/h1-3H,(H2,7,8,10,11)
InChIKeyAQTRWCPNROUMPO-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.68
Rot. Bonds

About 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione

1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione (PubChem CID 15604988) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione.

Molecular Properties

Compound Name1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
PubChem CID15604988
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
SMILESO=c1[nH]c(=O)c2cccn2[nH]1
InChIInChI=1S/C6H5N3O2/c10-5-4-2-1-3-9(4)8-6(11)7-5/h1-3H,(H2,7,8,10,11)
InChIKeyAQTRWCPNROUMPO-UHFFFAOYSA-N
XLogP-0.68
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione?
The IUPAC name of 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione (CID 15604988) is 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione.
What is the SMILES notation for 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione?
The canonical SMILES for 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione is O=c1[nH]c(=O)c2cccn2[nH]1.
What is the InChIKey of 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione?
The InChIKey is AQTRWCPNROUMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-5-4-2-1-3-9(4)8-6(11)7-5/h1-3H,(H2,7,8,10,11).
What are the key properties of 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione?
1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione has a molecular weight of 151.12 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione is sourced from PubChem (CID 15604988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).