7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C13H14N8O2 — CID 166332146

IUPAC7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)Cn1cnc(NC(=O)c2cnc3ccnn3c2C)n1
InChIInChI=1S/C13H14N8O2/c1-8-9(5-15-10-3-4-17-21(8)10)12(23)18-13-16-7-20(19-13)6-11(22)14-2/h3-5,7H,6H2,1-2H3,(H,14,22)(H,18,19,23)
InChIKeyZRBARUTWVFKMSQ-UHFFFAOYSA-N
MW314.31 g/mol
LogP-0.37
Rot. Bonds4

About 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 166332146) has the molecular formula C13H14N8O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID166332146
Molecular FormulaC13H14N8O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)Cn1cnc(NC(=O)c2cnc3ccnn3c2C)n1
InChIInChI=1S/C13H14N8O2/c1-8-9(5-15-10-3-4-17-21(8)10)12(23)18-13-16-7-20(19-13)6-11(22)14-2/h3-5,7H,6H2,1-2H3,(H,14,22)(H,18,19,23)
InChIKeyZRBARUTWVFKMSQ-UHFFFAOYSA-N
XLogP-0.37
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 166332146) is 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CNC(=O)Cn1cnc(NC(=O)c2cnc3ccnn3c2C)n1.
What is the InChIKey of 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZRBARUTWVFKMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O2/c1-8-9(5-15-10-3-4-17-21(8)10)12(23)18-13-16-7-20(19-13)6-11(22)14-2/h3-5,7H,6H2,1-2H3,(H,14,22)(H,18,19,23).
What are the key properties of 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 314.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 166332146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).