3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid

C11H17N3O2 — CID 62701319

IUPAC3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCCC(CC)N(C)c1nccnc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-8(5-2)14(3)10-9(11(15)16)12-6-7-13-10/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyAEFLOODHQFQBOQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.80
Rot. Bonds5

About 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid

3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 62701319) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
PubChem CID62701319
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
SMILESCCC(CC)N(C)c1nccnc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-8(5-2)14(3)10-9(11(15)16)12-6-7-13-10/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyAEFLOODHQFQBOQ-UHFFFAOYSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid (CID 62701319) is 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid is CCC(CC)N(C)c1nccnc1C(=O)O.
What is the InChIKey of 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is AEFLOODHQFQBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-8(5-2)14(3)10-9(11(15)16)12-6-7-13-10/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid?
3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).