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

C16H17N5O — CID 2451992

IUPAC5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCc3ccccc3)nc2n1
InChIInChI=1S/C16H17N5O/c1-11-10-12(2)21-16(18-11)19-14(20-21)15(22)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyDSXPXNOMTNUMNH-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.71
Rot. Bonds4

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

5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2451992) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2451992
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCc3ccccc3)nc2n1
InChIInChI=1S/C16H17N5O/c1-11-10-12(2)21-16(18-11)19-14(20-21)15(22)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyDSXPXNOMTNUMNH-UHFFFAOYSA-N
XLogP1.71
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2451992) is 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCCc3ccccc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DSXPXNOMTNUMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-10-12(2)21-16(18-11)19-14(20-21)15(22)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,22).
What are the key properties of 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2451992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).