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

C11H11N7O — CID 63565575

IUPAC7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)Nc2ncc[nH]2)cnc2ncnn12
InChIInChI=1S/C11H11N7O/c1-2-8-7(5-14-11-15-6-16-18(8)11)9(19)17-10-12-3-4-13-10/h3-6H,2H2,1H3,(H2,12,13,17,19)
InChIKeyRWFRYLBGIBBHBT-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.66
Rot. Bonds3

About 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 63565575) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID63565575
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)Nc2ncc[nH]2)cnc2ncnn12
InChIInChI=1S/C11H11N7O/c1-2-8-7(5-14-11-15-6-16-18(8)11)9(19)17-10-12-3-4-13-10/h3-6H,2H2,1H3,(H2,12,13,17,19)
InChIKeyRWFRYLBGIBBHBT-UHFFFAOYSA-N
XLogP0.66
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 63565575) is 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)Nc2ncc[nH]2)cnc2ncnn12.
What is the InChIKey of 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RWFRYLBGIBBHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-2-8-7(5-14-11-15-6-16-18(8)11)9(19)17-10-12-3-4-13-10/h3-6H,2H2,1H3,(H2,12,13,17,19).
What are the key properties of 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 257.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 63565575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).