5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

C8H8N4O — CID 141186763

IUPAC5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESCc1cn2nc(C=O)nc2nc1C
InChIInChI=1S/C8H8N4O/c1-5-3-12-8(9-6(5)2)10-7(4-13)11-12/h3-4H,1-2H3
InChIKeyZOKTXUUOXMNUKF-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.55
Rot. Bonds1

About 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde (PubChem CID 141186763) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
PubChem CID141186763
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESCc1cn2nc(C=O)nc2nc1C
InChIInChI=1S/C8H8N4O/c1-5-3-12-8(9-6(5)2)10-7(4-13)11-12/h3-4H,1-2H3
InChIKeyZOKTXUUOXMNUKF-UHFFFAOYSA-N
XLogP0.55
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde (CID 141186763) is 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde is Cc1cn2nc(C=O)nc2nc1C.
What is the InChIKey of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde?
The InChIKey is ZOKTXUUOXMNUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-3-12-8(9-6(5)2)10-7(4-13)11-12/h3-4H,1-2H3.
What are the key properties of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde?
5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde has a molecular weight of 176.18 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 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 141186763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).