N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H15N7O — CID 77081328

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)c2nc3ncccn3n2)n1
InChIInChI=1S/C14H15N7O/c1-9-8-10(2)18-11(17-9)4-6-15-13(22)12-19-14-16-5-3-7-21(14)20-12/h3,5,7-8H,4,6H2,1-2H3,(H,15,22)
InChIKeyZKAGXKRRSJGTKP-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.50
Rot. Bonds4

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77081328) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77081328
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)c2nc3ncccn3n2)n1
InChIInChI=1S/C14H15N7O/c1-9-8-10(2)18-11(17-9)4-6-15-13(22)12-19-14-16-5-3-7-21(14)20-12/h3,5,7-8H,4,6H2,1-2H3,(H,15,22)
InChIKeyZKAGXKRRSJGTKP-UHFFFAOYSA-N
XLogP0.50
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 77081328) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)nc(CCNC(=O)c2nc3ncccn3n2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZKAGXKRRSJGTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-9-8-10(2)18-11(17-9)4-6-15-13(22)12-19-14-16-5-3-7-21(14)20-12/h3,5,7-8H,4,6H2,1-2H3,(H,15,22).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77081328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).