N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide

C11H17N5O2 — CID 66197280

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNC1C2CCOC2C1NC(=O)CCn1cncn1
InChIInChI=1S/C11H17N5O2/c12-9-7-2-4-18-11(7)10(9)15-8(17)1-3-16-6-13-5-14-16/h5-7,9-11H,1-4,12H2,(H,15,17)
InChIKeyRBYQJVYEUZLRJF-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.10
Rot. Bonds4

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 66197280) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID66197280
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNC1C2CCOC2C1NC(=O)CCn1cncn1
InChIInChI=1S/C11H17N5O2/c12-9-7-2-4-18-11(7)10(9)15-8(17)1-3-16-6-13-5-14-16/h5-7,9-11H,1-4,12H2,(H,15,17)
InChIKeyRBYQJVYEUZLRJF-UHFFFAOYSA-N
XLogP-1.10
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,5S,6R,7S)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 133260673
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 126417156
N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95276466
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94094184
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103557335
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 100839204
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide
CID 66194959
4-[(3S,4R)-4-[3-(1,2,4-triazol-1-yl)propanoylamino]oxan-3-yl]oxybenzamide
CID 91781430
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide
CID 66197662

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 66197280) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide is NC1C2CCOC2C1NC(=O)CCn1cncn1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RBYQJVYEUZLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-9-7-2-4-18-11(7)10(9)15-8(17)1-3-16-6-13-5-14-16/h5-7,9-11H,1-4,12H2,(H,15,17).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 251.29 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 66197280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).