ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine

C9H19N3 — CID 143829320

IUPACethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine
SMILESCC.CC1=CN=C(CCN)CN1
InChIInChI=1S/C7H13N3.C2H6/c1-6-4-10-7(2-3-8)5-9-6;1-2/h4,9H,2-3,5,8H2,1H3;1-2H3
InChIKeyNOTJAWTTWGLQEG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds2

About ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine

ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine (PubChem CID 143829320) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine.

Molecular Properties

Compound Nameethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine
PubChem CID143829320
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine
SMILESCC.CC1=CN=C(CCN)CN1
InChIInChI=1S/C7H13N3.C2H6/c1-6-4-10-7(2-3-8)5-9-6;1-2/h4,9H,2-3,5,8H2,1H3;1-2H3
InChIKeyNOTJAWTTWGLQEG-UHFFFAOYSA-N
XLogP1.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine?
The IUPAC name of ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine (CID 143829320) is ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine.
What is the SMILES notation for ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine?
The canonical SMILES for ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine is CC.CC1=CN=C(CCN)CN1.
What is the InChIKey of ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine?
The InChIKey is NOTJAWTTWGLQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-6-4-10-7(2-3-8)5-9-6;1-2/h4,9H,2-3,5,8H2,1H3;1-2H3.
What are the key properties of ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine?
ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine is sourced from PubChem (CID 143829320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).