3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde

C8H9N5O — CID 86719152

IUPAC3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde
SMILESCNc1nc(C=O)cn2c(C)nnc12
InChIInChI=1S/C8H9N5O/c1-5-11-12-8-7(9-2)10-6(4-14)3-13(5)8/h3-4H,1-2H3,(H,9,10)
InChIKeyIJJKHQLIDWMKBM-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.29
Rot. Bonds2

About 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde

3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde (PubChem CID 86719152) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde
PubChem CID86719152
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde
SMILESCNc1nc(C=O)cn2c(C)nnc12
InChIInChI=1S/C8H9N5O/c1-5-11-12-8-7(9-2)10-6(4-14)3-13(5)8/h3-4H,1-2H3,(H,9,10)
InChIKeyIJJKHQLIDWMKBM-UHFFFAOYSA-N
XLogP0.29
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
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 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde?
The IUPAC name of 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde (CID 86719152) is 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde.
What is the SMILES notation for 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde?
The canonical SMILES for 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde is CNc1nc(C=O)cn2c(C)nnc12.
What is the InChIKey of 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde?
The InChIKey is IJJKHQLIDWMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-5-11-12-8-7(9-2)10-6(4-14)3-13(5)8/h3-4H,1-2H3,(H,9,10).
What are the key properties of 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde?
3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde has a molecular weight of 191.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyrazine-6-carbaldehyde is sourced from PubChem (CID 86719152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).