N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H22N6O2 — CID 77090465

IUPACN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCN(CC2CCCO2)CC1)c1nc2ncccn2n1
InChIInChI=1S/C16H22N6O2/c23-15(14-19-16-17-6-2-7-22(16)20-14)18-12-4-8-21(9-5-12)11-13-3-1-10-24-13/h2,6-7,12-13H,1,3-5,8-11H2,(H,18,23)
InChIKeyAJDUZKJYTDKOEC-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.50
Rot. Bonds4

About N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77090465) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77090465
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCN(CC2CCCO2)CC1)c1nc2ncccn2n1
InChIInChI=1S/C16H22N6O2/c23-15(14-19-16-17-6-2-7-22(16)20-14)18-12-4-8-21(9-5-12)11-13-3-1-10-24-13/h2,6-7,12-13H,1,3-5,8-11H2,(H,18,23)
InChIKeyAJDUZKJYTDKOEC-UHFFFAOYSA-N
XLogP0.50
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
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-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 77090465) is N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCN(CC2CCCO2)CC1)c1nc2ncccn2n1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AJDUZKJYTDKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-15(14-19-16-17-6-2-7-22(16)20-14)18-12-4-8-21(9-5-12)11-13-3-1-10-24-13/h2,6-7,12-13H,1,3-5,8-11H2,(H,18,23).
What are the key properties of N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 330.39 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-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77090465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).