2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

C6H5N3O — CID 3240920

IUPAC2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=c1[nH]ncn2cccc12
InChIInChI=1S/C6H5N3O/c10-6-5-2-1-3-9(5)4-7-8-6/h1-4H,(H,8,10)
InChIKeySVMRIWUVQVPFTQ-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.02
Rot. Bonds

About 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

2H-pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 3240920) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID3240920
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=c1[nH]ncn2cccc12
InChIInChI=1S/C6H5N3O/c10-6-5-2-1-3-9(5)4-7-8-6/h1-4H,(H,8,10)
InChIKeySVMRIWUVQVPFTQ-UHFFFAOYSA-N
XLogP0.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 3240920) is 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one is O=c1[nH]ncn2cccc12.
What is the InChIKey of 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is SVMRIWUVQVPFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-6-5-2-1-3-9(5)4-7-8-6/h1-4H,(H,8,10).
What are the key properties of 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
2H-pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 135.13 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 3240920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).