N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide

C8H14N4O — CID 175766204

IUPACN-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide
SMILESCN1C=C(C(=O)NCCN)N=CC1
InChIInChI=1S/C8H14N4O/c1-12-5-4-10-7(6-12)8(13)11-3-2-9/h4,6H,2-3,5,9H2,1H3,(H,11,13)
InChIKeyOXCHBAOYHYAYAV-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.08
Rot. Bonds3

About N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide

N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide (PubChem CID 175766204) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide
PubChem CID175766204
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide
SMILESCN1C=C(C(=O)NCCN)N=CC1
InChIInChI=1S/C8H14N4O/c1-12-5-4-10-7(6-12)8(13)11-3-2-9/h4,6H,2-3,5,9H2,1H3,(H,11,13)
InChIKeyOXCHBAOYHYAYAV-UHFFFAOYSA-N
XLogP-1.08
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide (CID 175766204) is N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide is CN1C=C(C(=O)NCCN)N=CC1.
What is the InChIKey of N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide?
The InChIKey is OXCHBAOYHYAYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-5-4-10-7(6-12)8(13)11-3-2-9/h4,6H,2-3,5,9H2,1H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide?
N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-methyl-2H-pyrazine-5-carboxamide is sourced from PubChem (CID 175766204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).