2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide

C17H20N4O2 — CID 124622194

IUPAC2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide
SMILESO=C(C[C@H]1OCCc2ccccc21)NC1(c2ncn[nH]2)CCC1
InChIInChI=1S/C17H20N4O2/c22-15(20-17(7-3-8-17)16-18-11-19-21-16)10-14-13-5-2-1-4-12(13)6-9-23-14/h1-2,4-5,11,14H,3,6-10H2,(H,20,22)(H,18,19,21)/t14-/m1/s1
InChIKeyIBZHUSTWCXRSPM-CQSZACIVSA-N
MW312.37 g/mol
LogP2.00
Rot. Bonds4

About 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide

2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide (PubChem CID 124622194) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide
PubChem CID124622194
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide
SMILESO=C(C[C@H]1OCCc2ccccc21)NC1(c2ncn[nH]2)CCC1
InChIInChI=1S/C17H20N4O2/c22-15(20-17(7-3-8-17)16-18-11-19-21-16)10-14-13-5-2-1-4-12(13)6-9-23-14/h1-2,4-5,11,14H,3,6-10H2,(H,20,22)(H,18,19,21)/t14-/m1/s1
InChIKeyIBZHUSTWCXRSPM-CQSZACIVSA-N
XLogP2.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide 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

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99107193
2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
CID 119428540
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]acetamide
CID 126822586
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119458979
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119621137
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119621136
2-iodo-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide
CID 136535082
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119408439
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 111386279
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568102
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119524618
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide?
The IUPAC name of 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide (CID 124622194) is 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide.
What is the SMILES notation for 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide?
The canonical SMILES for 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide is O=C(C[C@H]1OCCc2ccccc21)NC1(c2ncn[nH]2)CCC1.
What is the InChIKey of 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide?
The InChIKey is IBZHUSTWCXRSPM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15(20-17(7-3-8-17)16-18-11-19-21-16)10-14-13-5-2-1-4-12(13)6-9-23-14/h1-2,4-5,11,14H,3,6-10H2,(H,20,22)(H,18,19,21)/t14-/m1/s1.
What are the key properties of 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide?
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]acetamide is sourced from PubChem (CID 124622194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).