7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde

C8H10N4O2 — CID 82401397

IUPAC7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde
SMILESCC(=O)N1CCn2nc(C=O)nc2C1
InChIInChI=1S/C8H10N4O2/c1-6(14)11-2-3-12-8(4-11)9-7(5-13)10-12/h5H,2-4H2,1H3
InChIKeyKNQQPVLJGWDMKS-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.55
Rot. Bonds1

About 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde

7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde (PubChem CID 82401397) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde
PubChem CID82401397
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde
SMILESCC(=O)N1CCn2nc(C=O)nc2C1
InChIInChI=1S/C8H10N4O2/c1-6(14)11-2-3-12-8(4-11)9-7(5-13)10-12/h5H,2-4H2,1H3
InChIKeyKNQQPVLJGWDMKS-UHFFFAOYSA-N
XLogP-0.55
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde
CID 82402181
1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one
CID 172548508
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
CID 83873319
(2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone
CID 125454299
tert-butyl 2-iodo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
CID 130115016
(4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
CID 136542009
2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride
CID 119889183
1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 118489351
1-[2-[4-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 130376924
(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium
CID 123146193
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(4-prop-2-enoxyphenyl)methanone
CID 95857412
1,4-diacetylpiperazin-2-one
CID 45099917

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde?
The IUPAC name of 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde (CID 82401397) is 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde.
What is the SMILES notation for 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde?
The canonical SMILES for 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde is CC(=O)N1CCn2nc(C=O)nc2C1.
What is the InChIKey of 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde?
The InChIKey is KNQQPVLJGWDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-6(14)11-2-3-12-8(4-11)9-7(5-13)10-12/h5H,2-4H2,1H3.
What are the key properties of 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde?
7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde has a molecular weight of 194.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 82401397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).