8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde

C11H12N6O — CID 139384728

IUPAC8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
SMILESCC1c2nnc(-c3cnccn3)n2CCN1C=O
InChIInChI=1S/C11H12N6O/c1-8-10-14-15-11(9-6-12-2-3-13-9)17(10)5-4-16(8)7-18/h2-3,6-8H,4-5H2,1H3
InChIKeyUOQIIGCIQHOGBY-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.27
Rot. Bonds2

About 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde

8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde (PubChem CID 139384728) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
PubChem CID139384728
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
SMILESCC1c2nnc(-c3cnccn3)n2CCN1C=O
InChIInChI=1S/C11H12N6O/c1-8-10-14-15-11(9-6-12-2-3-13-9)17(10)5-4-16(8)7-18/h2-3,6-8H,4-5H2,1H3
InChIKeyUOQIIGCIQHOGBY-UHFFFAOYSA-N
XLogP0.27
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde?
The IUPAC name of 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde (CID 139384728) is 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde.
What is the SMILES notation for 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde?
The canonical SMILES for 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde is CC1c2nnc(-c3cnccn3)n2CCN1C=O.
What is the InChIKey of 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde?
The InChIKey is UOQIIGCIQHOGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-8-10-14-15-11(9-6-12-2-3-13-9)17(10)5-4-16(8)7-18/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde?
8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde has a molecular weight of 244.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde is sourced from PubChem (CID 139384728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).