6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one

C9H12N4O2 — CID 58849969

IUPAC6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one
SMILESCNc1nnc2n(c1=O)C(C(C)=O)CC2
InChIInChI=1S/C9H12N4O2/c1-5(14)6-3-4-7-11-12-8(10-2)9(15)13(6)7/h6H,3-4H2,1-2H3,(H,10,12)
InChIKeyZDCFNVUZZKBCNZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.24
Rot. Bonds2

About 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one

6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one (PubChem CID 58849969) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one
PubChem CID58849969
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one
SMILESCNc1nnc2n(c1=O)C(C(C)=O)CC2
InChIInChI=1S/C9H12N4O2/c1-5(14)6-3-4-7-11-12-8(10-2)9(15)13(6)7/h6H,3-4H2,1-2H3,(H,10,12)
InChIKeyZDCFNVUZZKBCNZ-UHFFFAOYSA-N
XLogP-0.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one (CID 58849969) is 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one is CNc1nnc2n(c1=O)C(C(C)=O)CC2.
What is the InChIKey of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is ZDCFNVUZZKBCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5(14)6-3-4-7-11-12-8(10-2)9(15)13(6)7/h6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one?
6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 208.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 58849969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).