N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C8H9N5O2 — CID 47143299

IUPACN-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCONC(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C8H9N5O2/c1-5-3-4-9-8-10-6(11-13(5)8)7(14)12-15-2/h3-4H,1-2H3,(H,12,14)
InChIKeyUPCYMQZXOBDRIK-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.28
Rot. Bonds2

About N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 47143299) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID47143299
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC NameN-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCONC(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C8H9N5O2/c1-5-3-4-9-8-10-6(11-13(5)8)7(14)12-15-2/h3-4H,1-2H3,(H,12,14)
InChIKeyUPCYMQZXOBDRIK-UHFFFAOYSA-N
XLogP-0.28
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 47143299) is N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CONC(=O)c1nc2nccc(C)n2n1.
What is the InChIKey of N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UPCYMQZXOBDRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-5-3-4-9-8-10-6(11-13(5)8)7(14)12-15-2/h3-4H,1-2H3,(H,12,14).
What are the key properties of N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 207.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 47143299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).