5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C7H5Cl2N3O — CID 137186362

IUPAC5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1nn2c(Cl)cc(Cl)c2c(=O)[nH]1
InChIInChI=1S/C7H5Cl2N3O/c1-3-10-7(13)6-4(8)2-5(9)12(6)11-3/h2H,1H3,(H,10,11,13)
InChIKeyDFVJSMCGTIJBLW-UHFFFAOYSA-N
MW218.04 g/mol
LogP1.64
Rot. Bonds

About 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137186362) has the molecular formula C7H5Cl2N3O and a molecular weight of 218.04 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137186362
Molecular FormulaC7H5Cl2N3O
Molecular Weight218.04 g/mol
Exact Mass216.98
IUPAC Name5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1nn2c(Cl)cc(Cl)c2c(=O)[nH]1
InChIInChI=1S/C7H5Cl2N3O/c1-3-10-7(13)6-4(8)2-5(9)12(6)11-3/h2H,1H3,(H,10,11,13)
InChIKeyDFVJSMCGTIJBLW-UHFFFAOYSA-N
XLogP1.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137186362) is 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1nn2c(Cl)cc(Cl)c2c(=O)[nH]1.
What is the InChIKey of 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is DFVJSMCGTIJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3O/c1-3-10-7(13)6-4(8)2-5(9)12(6)11-3/h2H,1H3,(H,10,11,13).
What are the key properties of 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 218.04 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137186362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).