(2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide

C22H31N5O — CID 95785810

IUPAC(2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N1CCn2c(CCc3ccccc3)nnc2C1
InChIInChI=1S/C22H31N5O/c1-17(22(28)23-19-10-6-3-7-11-19)26-14-15-27-20(24-25-21(27)16-26)13-12-18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3,(H,23,28)/t17-/m1/s1
InChIKeyJBIAOUJRMZWZRP-QGZVFWFLSA-N
MW381.52 g/mol
LogP2.72
Rot. Bonds6

About (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide

(2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide (PubChem CID 95785810) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide
PubChem CID95785810
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name(2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N1CCn2c(CCc3ccccc3)nnc2C1
InChIInChI=1S/C22H31N5O/c1-17(22(28)23-19-10-6-3-7-11-19)26-14-15-27-20(24-25-21(27)16-26)13-12-18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3,(H,23,28)/t17-/m1/s1
InChIKeyJBIAOUJRMZWZRP-QGZVFWFLSA-N
XLogP2.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-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

(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81494564
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-4-phenylbutanamide
CID 51361418
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
7-(2-methylbutyl)-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 45176585

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide (CID 95785810) is (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide is C[C@H](C(=O)NC1CCCCC1)N1CCn2c(CCc3ccccc3)nnc2C1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide?
The InChIKey is JBIAOUJRMZWZRP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31N5O/c1-17(22(28)23-19-10-6-3-7-11-19)26-14-15-27-20(24-25-21(27)16-26)13-12-18-8-4-2-5-9-18/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3,(H,23,28)/t17-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide?
(2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanamide is sourced from PubChem (CID 95785810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).