(6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

C16H24N4O4 — CID 129470260

IUPAC(6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
SMILESCc1nnc2n1C[C@H](C(=O)O)N(C(=O)CO[C@@H]1CCCC[C@@H]1C)C2
InChIInChI=1S/C16H24N4O4/c1-10-5-3-4-6-13(10)24-9-15(21)20-8-14-18-17-11(2)19(14)7-12(20)16(22)23/h10,12-13H,3-9H2,1-2H3,(H,22,23)/t10-,12+,13+/m0/s1
InChIKeyOIPXXKQDKGQEKK-CYZMBNFOSA-N
MW336.39 g/mol
LogP0.98
Rot. Bonds4

About (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

(6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid (PubChem CID 129470260) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
PubChem CID129470260
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
SMILESCc1nnc2n1C[C@H](C(=O)O)N(C(=O)CO[C@@H]1CCCC[C@@H]1C)C2
InChIInChI=1S/C16H24N4O4/c1-10-5-3-4-6-13(10)24-9-15(21)20-8-14-18-17-11(2)19(14)7-12(20)16(22)23/h10,12-13H,3-9H2,1-2H3,(H,22,23)/t10-,12+,13+/m0/s1
InChIKeyOIPXXKQDKGQEKK-CYZMBNFOSA-N
XLogP0.98
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 119372189
3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 56780123
7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122072792
(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
CID 99639050
1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
CID 111560893
7-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046659
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone
CID 124729687
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129326613
3-methyl-7-[(2,4,5-trifluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046657
7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 136568031
3-methyl-7-(2,3,5,6-tetramethylphenyl)sulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122072705

Frequently Asked Questions

What is the IUPAC name of (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?
The IUPAC name of (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid (CID 129470260) is (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?
The canonical SMILES for (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid is Cc1nnc2n1C[C@H](C(=O)O)N(C(=O)CO[C@@H]1CCCC[C@@H]1C)C2.
What is the InChIKey of (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?
The InChIKey is OIPXXKQDKGQEKK-CYZMBNFOSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10-5-3-4-6-13(10)24-9-15(21)20-8-14-18-17-11(2)19(14)7-12(20)16(22)23/h10,12-13H,3-9H2,1-2H3,(H,22,23)/t10-,12+,13+/m0/s1.
What are the key properties of (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?
(6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-methyl-7-[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 129470260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).