N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide

C13H19N5O2 — CID 91774100

IUPACN-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ncn[nH]1
InChIInChI=1S/C13H19N5O2/c19-13(12-14-7-15-17-12)16-9-8-3-6-20-11(8)10(9)18-4-1-2-5-18/h7-11H,1-6H2,(H,16,19)(H,14,15,17)/t8-,9+,10-,11-/m1/s1
InChIKeyCAGXKMYJPGBJDL-LMLFDSFASA-N
MW277.33 g/mol
LogP-0.21
Rot. Bonds3

About N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide

N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 91774100) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID91774100
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ncn[nH]1
InChIInChI=1S/C13H19N5O2/c19-13(12-14-7-15-17-12)16-9-8-3-6-20-11(8)10(9)18-4-1-2-5-18/h7-11H,1-6H2,(H,16,19)(H,14,15,17)/t8-,9+,10-,11-/m1/s1
InChIKeyCAGXKMYJPGBJDL-LMLFDSFASA-N
XLogP-0.21
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide with MolForge

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Related Compounds

3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide
CID 91761664
6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide
CID 91775118
4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide
CID 91796653
2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91789516
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide
CID 91781950
3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91778198
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 178044684
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91769076
N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
CID 83022777
N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 102724932
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91762510

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide (CID 91774100) is N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide is O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ncn[nH]1.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CAGXKMYJPGBJDL-LMLFDSFASA-N. The full InChI is InChI=1S/C13H19N5O2/c19-13(12-14-7-15-17-12)16-9-8-3-6-20-11(8)10(9)18-4-1-2-5-18/h7-11H,1-6H2,(H,16,19)(H,14,15,17)/t8-,9+,10-,11-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 91774100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).