5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H19N5O2 — CID 92553481

IUPAC5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCOC(C)C)nc2n1
InChIInChI=1S/C13H19N5O2/c1-8(2)20-6-5-14-12(19)11-16-13-15-9(3)7-10(4)18(13)17-11/h7-8H,5-6H2,1-4H3,(H,14,19)
InChIKeyNCTIWPDXILUTLC-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.90
Rot. Bonds5

About 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 92553481) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID92553481
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCOC(C)C)nc2n1
InChIInChI=1S/C13H19N5O2/c1-8(2)20-6-5-14-12(19)11-16-13-15-9(3)7-10(4)18(13)17-11/h7-8H,5-6H2,1-4H3,(H,14,19)
InChIKeyNCTIWPDXILUTLC-UHFFFAOYSA-N
XLogP0.90
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 92553481) is 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCCOC(C)C)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NCTIWPDXILUTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(2)20-6-5-14-12(19)11-16-13-15-9(3)7-10(4)18(13)17-11/h7-8H,5-6H2,1-4H3,(H,14,19).
What are the key properties of 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 92553481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).