1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

C12H17N3O3 — CID 62938500

IUPAC1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccnc(NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C12H17N3O3/c1-15-8-7-13-9(10(15)16)14-12(11(17)18)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,13,14)(H,17,18)
InChIKeyUAOPTWFUDLKXAW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.98
Rot. Bonds3

About 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 62938500) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID62938500
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCn1ccnc(NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C12H17N3O3/c1-15-8-7-13-9(10(15)16)14-12(11(17)18)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,13,14)(H,17,18)
InChIKeyUAOPTWFUDLKXAW-UHFFFAOYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 62938500) is 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is Cn1ccnc(NC2(C(=O)O)CCCCC2)c1=O.
What is the InChIKey of 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UAOPTWFUDLKXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-8-7-13-9(10(15)16)14-12(11(17)18)5-3-2-4-6-12/h7-8H,2-6H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62938500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).