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

C6H5N5O — CID 84651506

IUPAC6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESNc1cnc2nc(C=O)nn2c1
InChIInChI=1S/C6H5N5O/c7-4-1-8-6-9-5(3-12)10-11(6)2-4/h1-3H,7H2
InChIKeyNTOLNNGHVPECKB-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.48
Rot. Bonds1

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

6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde (PubChem CID 84651506) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
PubChem CID84651506
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESNc1cnc2nc(C=O)nn2c1
InChIInChI=1S/C6H5N5O/c7-4-1-8-6-9-5(3-12)10-11(6)2-4/h1-3H,7H2
InChIKeyNTOLNNGHVPECKB-UHFFFAOYSA-N
XLogP-0.48
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.48
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 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde (CID 84651506) is 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde is Nc1cnc2nc(C=O)nn2c1.
What is the InChIKey of 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde?
The InChIKey is NTOLNNGHVPECKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c7-4-1-8-6-9-5(3-12)10-11(6)2-4/h1-3H,7H2.
What are the key properties of 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde?
6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde has a molecular weight of 163.14 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 84651506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).