(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one

C19H26N4O2 — CID 95301470

IUPAC(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
SMILESCc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C19H26N4O2/c1-12(2)16-7-6-13(3)17(10-16)25-14(4)19(24)22-8-9-23-15(5)20-21-18(23)11-22/h6-7,10,12,14H,8-9,11H2,1-5H3/t14-/m1/s1
InChIKeyACXMFSBIWKOQCR-CQSZACIVSA-N
MW342.44 g/mol
LogP2.83
Rot. Bonds4

About (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one

(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one (PubChem CID 95301470) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
PubChem CID95301470
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
SMILESCc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C19H26N4O2/c1-12(2)16-7-6-13(3)17(10-16)25-14(4)19(24)22-8-9-23-15(5)20-21-18(23)11-22/h6-7,10,12,14H,8-9,11H2,1-5H3/t14-/m1/s1
InChIKeyACXMFSBIWKOQCR-CQSZACIVSA-N
XLogP2.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one with MolForge

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119412814
1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 60559753
2-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178706
1-(2,6-dimethylmorpholin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 112787778
(2S)-2-butoxy-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95291689
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 119634031
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
4-fluoro-N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 60511292
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 119651574
(2S)-2-[4-[(2S)-2-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 125154249
(2-bromophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 110722406
3-[(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 95312675

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one (CID 95301470) is (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one is Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCn2c(C)nnc2C1.
What is the InChIKey of (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one?
The InChIKey is ACXMFSBIWKOQCR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)16-7-6-13(3)17(10-16)25-14(4)19(24)22-8-9-23-15(5)20-21-18(23)11-22/h6-7,10,12,14H,8-9,11H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one?
(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 95301470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).