7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C13H18N6O2 — CID 154873954

IUPAC7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C13H18N6O2/c20-11(14-4-7-18-5-2-1-3-6-18)10-8-15-13-16-9-17-19(13)12(10)21/h8-9H,1-7H2,(H,14,20)(H,15,16,17)
InChIKeyYLLNOGFEHRYUEM-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.37
Rot. Bonds4

About 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 154873954) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID154873954
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C13H18N6O2/c20-11(14-4-7-18-5-2-1-3-6-18)10-8-15-13-16-9-17-19(13)12(10)21/h8-9H,1-7H2,(H,14,20)(H,15,16,17)
InChIKeyYLLNOGFEHRYUEM-UHFFFAOYSA-N
XLogP-0.37
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 154873954) is 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is O=C(NCCN1CCCCC1)c1cnc2nc[nH]n2c1=O.
What is the InChIKey of 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YLLNOGFEHRYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c20-11(14-4-7-18-5-2-1-3-6-18)10-8-15-13-16-9-17-19(13)12(10)21/h8-9H,1-7H2,(H,14,20)(H,15,16,17).
What are the key properties of 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 290.33 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-(2-piperidin-1-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 154873954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).