N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide

C18H23N5O — CID 95295562

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESCc1nnc2n1CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)C2
InChIInChI=1S/C18H23N5O/c1-13-20-21-16-11-22(9-10-23(13)16)12-17(24)19-18(15-7-8-15)14-5-3-2-4-6-14/h2-6,15,18H,7-12H2,1H3,(H,19,24)/t18-/m1/s1
InChIKeyPXQJPSHEILGLFQ-GOSISDBHSA-N
MW325.42 g/mol
LogP1.67
Rot. Bonds5

About N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide

N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (PubChem CID 95295562) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
PubChem CID95295562
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESCc1nnc2n1CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)C2
InChIInChI=1S/C18H23N5O/c1-13-20-21-16-11-22(9-10-23(13)16)12-17(24)19-18(15-7-8-15)14-5-3-2-4-6-14/h2-6,15,18H,7-12H2,1H3,(H,19,24)/t18-/m1/s1
InChIKeyPXQJPSHEILGLFQ-GOSISDBHSA-N
XLogP1.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 95289306
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 170578752
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 55830599
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[cyclopropyl(phenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86919337
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46558763
N-[cyclopropyl(phenyl)methyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 75369068
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 55524481
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778855

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (CID 95295562) is N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The canonical SMILES for N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is Cc1nnc2n1CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)C2.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The InChIKey is PXQJPSHEILGLFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-20-21-16-11-22(9-10-23(13)16)12-17(24)19-18(15-7-8-15)14-5-3-2-4-6-14/h2-6,15,18H,7-12H2,1H3,(H,19,24)/t18-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is sourced from PubChem (CID 95295562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).