5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid

C14H17N5O2 — CID 166302096

IUPAC5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCn2cnc3c2CCCC3)cn1
InChIInChI=1S/C14H17N5O2/c20-14(21)11-7-17-13(8-16-11)15-5-6-19-9-18-10-3-1-2-4-12(10)19/h7-9H,1-6H2,(H,15,17)(H,20,21)
InChIKeyOINKAPBVSUWXEP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.36
Rot. Bonds5

About 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid

5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 166302096) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID166302096
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCn2cnc3c2CCCC3)cn1
InChIInChI=1S/C14H17N5O2/c20-14(21)11-7-17-13(8-16-11)15-5-6-19-9-18-10-3-1-2-4-12(10)19/h7-9H,1-6H2,(H,15,17)(H,20,21)
InChIKeyOINKAPBVSUWXEP-UHFFFAOYSA-N
XLogP1.36
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 107372352
5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 122056848
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
N-(2-morpholin-4-ylethyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277458
5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
CID 122058141
5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 167982197
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid (CID 166302096) is 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCCn2cnc3c2CCCC3)cn1.
What is the InChIKey of 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is OINKAPBVSUWXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(21)11-7-17-13(8-16-11)15-5-6-19-9-18-10-3-1-2-4-12(10)19/h7-9H,1-6H2,(H,15,17)(H,20,21).
What are the key properties of 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid?
5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166302096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).