4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H27N5O3 — CID 122024233

IUPAC4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1nnc2n1CCN(C(=O)NC1CCC(C(=O)O)CC1)C2C
InChIInChI=1S/C17H27N5O3/c1-10(2)14-19-20-15-11(3)21(8-9-22(14)15)17(25)18-13-6-4-12(5-7-13)16(23)24/h10-13H,4-9H2,1-3H3,(H,18,25)(H,23,24)
InChIKeyDJSYFMGGUASMII-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.13
Rot. Bonds3

About 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122024233) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122024233
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1nnc2n1CCN(C(=O)NC1CCC(C(=O)O)CC1)C2C
InChIInChI=1S/C17H27N5O3/c1-10(2)14-19-20-15-11(3)21(8-9-22(14)15)17(25)18-13-6-4-12(5-7-13)16(23)24/h10-13H,4-9H2,1-3H3,(H,18,25)(H,23,24)
InChIKeyDJSYFMGGUASMII-UHFFFAOYSA-N
XLogP2.13
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122024233) is 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid is CC(C)c1nnc2n1CCN(C(=O)NC1CCC(C(=O)O)CC1)C2C.
What is the InChIKey of 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DJSYFMGGUASMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-10(2)14-19-20-15-11(3)21(8-9-22(14)15)17(25)18-13-6-4-12(5-7-13)16(23)24/h10-13H,4-9H2,1-3H3,(H,18,25)(H,23,24).
What are the key properties of 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 349.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).