N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide

C18H22N4O — CID 126417156

IUPACN-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N4O/c23-16(9-10-22-12-19-11-20-22)21-18-15-8-4-7-14(15)17(18)13-5-2-1-3-6-13/h1-3,5-6,11-12,14-15,17-18H,4,7-10H2,(H,21,23)/t14-,15-,17+,18-/m1/s1
InChIKeyKBDSCIHHUUYTBS-XYVMCAHJSA-N
MW310.40 g/mol
LogP2.37
Rot. Bonds5

About N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 126417156) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID126417156
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N4O/c23-16(9-10-22-12-19-11-20-22)21-18-15-8-4-7-14(15)17(18)13-5-2-1-3-6-13/h1-3,5-6,11-12,14-15,17-18H,4,7-10H2,(H,21,23)/t14-,15-,17+,18-/m1/s1
InChIKeyKBDSCIHHUUYTBS-XYVMCAHJSA-N
XLogP2.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 92596564
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 126417205
N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110216223
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256
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)-3-(1,2,4-triazol-1-yl)propanamide
CID 66197280
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95276466
(2S)-3-phenyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 28788825
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide
CID 126417233

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 126417156) is N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1.
What is the InChIKey of N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KBDSCIHHUUYTBS-XYVMCAHJSA-N. The full InChI is InChI=1S/C18H22N4O/c23-16(9-10-22-12-19-11-20-22)21-18-15-8-4-7-14(15)17(18)13-5-2-1-3-6-13/h1-3,5-6,11-12,14-15,17-18H,4,7-10H2,(H,21,23)/t14-,15-,17+,18-/m1/s1.
What are the key properties of N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 126417156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).