6-(hexan-3-ylamino)pyrazine-2-carboxylic acid

C11H17N3O2 — CID 66449518

IUPAC6-(hexan-3-ylamino)pyrazine-2-carboxylic acid
SMILESCCCC(CC)Nc1cncc(C(=O)O)n1
InChIInChI=1S/C11H17N3O2/c1-3-5-8(4-2)13-10-7-12-6-9(14-10)11(15)16/h6-8H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQRADXINHSLVRLK-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.17
Rot. Bonds6

About 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid

6-(hexan-3-ylamino)pyrazine-2-carboxylic acid (PubChem CID 66449518) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(hexan-3-ylamino)pyrazine-2-carboxylic acid
PubChem CID66449518
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-(hexan-3-ylamino)pyrazine-2-carboxylic acid
SMILESCCCC(CC)Nc1cncc(C(=O)O)n1
InChIInChI=1S/C11H17N3O2/c1-3-5-8(4-2)13-10-7-12-6-9(14-10)11(15)16/h6-8H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQRADXINHSLVRLK-UHFFFAOYSA-N
XLogP2.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid (CID 66449518) is 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid is CCCC(CC)Nc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is QRADXINHSLVRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-5-8(4-2)13-10-7-12-6-9(14-10)11(15)16/h6-8H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid?
6-(hexan-3-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexan-3-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).