N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H17N5O2 — CID 91766673

IUPACN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@@H]1[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C14H17N5O2/c1-2-8-10(9-4-7-21-11(8)9)16-13(20)12-17-14-15-5-3-6-19(14)18-12/h3,5-6,8-11H,2,4,7H2,1H3,(H,16,20)/t8-,9+,10-,11-/m1/s1
InChIKeyWQRXRMUECHRGPX-LMLFDSFASA-N
MW287.32 g/mol
LogP0.67
Rot. Bonds3

About N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91766673) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91766673
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@@H]1[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C14H17N5O2/c1-2-8-10(9-4-7-21-11(8)9)16-13(20)12-17-14-15-5-3-6-19(14)18-12/h3,5-6,8-11H,2,4,7H2,1H3,(H,16,20)/t8-,9+,10-,11-/m1/s1
InChIKeyWQRXRMUECHRGPX-LMLFDSFASA-N
XLogP0.67
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 91766673) is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC[C@@H]1[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WQRXRMUECHRGPX-LMLFDSFASA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-8-10(9-4-7-21-11(8)9)16-13(20)12-17-14-15-5-3-6-19(14)18-12/h3,5-6,8-11H,2,4,7H2,1H3,(H,16,20)/t8-,9+,10-,11-/m1/s1.
What are the key properties of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91766673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).