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

C17H27N5O — CID 95750296

IUPAC(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
SMILESCc1nnc2n1CCN([C@H](C)C(=O)NCCC1=CCCCC1)C2
InChIInChI=1S/C17H27N5O/c1-13(17(23)18-9-8-15-6-4-3-5-7-15)21-10-11-22-14(2)19-20-16(22)12-21/h6,13H,3-5,7-12H2,1-2H3,(H,18,23)/t13-/m1/s1
InChIKeyBKHQLAQPOCTWGM-CYBMUJFWSA-N
MW317.44 g/mol
LogP1.80
Rot. Bonds5

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

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide (PubChem CID 95750296) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
PubChem CID95750296
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
SMILESCc1nnc2n1CCN([C@H](C)C(=O)NCCC1=CCCCC1)C2
InChIInChI=1S/C17H27N5O/c1-13(17(23)18-9-8-15-6-4-3-5-7-15)21-10-11-22-14(2)19-20-16(22)12-21/h6,13H,3-5,7-12H2,1-2H3,(H,18,23)/t13-/m1/s1
InChIKeyBKHQLAQPOCTWGM-CYBMUJFWSA-N
XLogP1.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide with MolForge

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Related Compounds

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanamide
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(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
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(2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8596856
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 134045449
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide
CID 86773522
1-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
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2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8689455
(2S)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 95750293
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide?
The IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide (CID 95750296) is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide is Cc1nnc2n1CCN([C@H](C)C(=O)NCCC1=CCCCC1)C2.
What is the InChIKey of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide?
The InChIKey is BKHQLAQPOCTWGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13(17(23)18-9-8-15-6-4-3-5-7-15)21-10-11-22-14(2)19-20-16(22)12-21/h6,13H,3-5,7-12H2,1-2H3,(H,18,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide?
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide has a molecular weight of 317.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide is sourced from PubChem (CID 95750296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).