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

C8H9N3O2 — CID 91983878

IUPAC3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one
SMILESCC(=O)c1nnc2n(c1=O)CCC2
InChIInChI=1S/C8H9N3O2/c1-5(12)7-8(13)11-4-2-3-6(11)9-10-7/h2-4H2,1H3
InChIKeyDRNSGHFQFHMCTE-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.21
Rot. Bonds1

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

3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one (PubChem CID 91983878) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one
PubChem CID91983878
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one
SMILESCC(=O)c1nnc2n(c1=O)CCC2
InChIInChI=1S/C8H9N3O2/c1-5(12)7-8(13)11-4-2-3-6(11)9-10-7/h2-4H2,1H3
InChIKeyDRNSGHFQFHMCTE-UHFFFAOYSA-N
XLogP-0.21
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 641889
2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 136837170
(2R)-2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid
CID 95732357
3-iodo-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 163769825
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 25219288
3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide;hydrochloride
CID 68640946
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3,6-dimethylbenzoic acid
CID 103431020
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiane-4-carboxylic acid
CID 82381823
2-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 43698134
1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]ethanone
CID 107077895
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(methylamino)propanamide
CID 62637463
2-(butan-2-ylamino)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]acetamide
CID 54925341

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one (CID 91983878) is 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one is CC(=O)c1nnc2n(c1=O)CCC2.
What is the InChIKey of 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is DRNSGHFQFHMCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-5(12)7-8(13)11-4-2-3-6(11)9-10-7/h2-4H2,1H3.
What are the key properties of 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one?
3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 91983878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).