iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C8H10IN3O — CID 145116229

IUPACiodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCI.Cc1cc2c(=O)[nH]cnn2c1
InChIInChI=1S/C7H7N3O.CH3I/c1-5-2-6-7(11)8-4-9-10(6)3-5;1-2/h2-4H,1H3,(H,8,9,11);1H3
InChIKeyBNVSRPONGIZYAA-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.38
Rot. Bonds

About iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 145116229) has the molecular formula C8H10IN3O and a molecular weight of 291.09 g/mol. Its IUPAC name is iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Nameiodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID145116229
Molecular FormulaC8H10IN3O
Molecular Weight291.09 g/mol
Exact Mass290.99
IUPAC Nameiodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCI.Cc1cc2c(=O)[nH]cnn2c1
InChIInChI=1S/C7H7N3O.CH3I/c1-5-2-6-7(11)8-4-9-10(6)3-5;1-2/h2-4H,1H3,(H,8,9,11);1H3
InChIKeyBNVSRPONGIZYAA-UHFFFAOYSA-N
XLogP1.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 145116229) is iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is CI.Cc1cc2c(=O)[nH]cnn2c1.
What is the InChIKey of iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is BNVSRPONGIZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.CH3I/c1-5-2-6-7(11)8-4-9-10(6)3-5;1-2/h2-4H,1H3,(H,8,9,11);1H3.
What are the key properties of iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 291.09 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 145116229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).