1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol

C11H20N4O — CID 79383856

IUPAC1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cnc(CN)cn1
InChIInChI=1S/C11H20N4O/c1-4-15(8-11(2,3)16)10-7-13-9(5-12)6-14-10/h6-7,16H,4-5,8,12H2,1-3H3
InChIKeyQKOZGPFWQVUAOP-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.53
Rot. Bonds5

About 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol

1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79383856) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79383856
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cnc(CN)cn1
InChIInChI=1S/C11H20N4O/c1-4-15(8-11(2,3)16)10-7-13-9(5-12)6-14-10/h6-7,16H,4-5,8,12H2,1-3H3
InChIKeyQKOZGPFWQVUAOP-UHFFFAOYSA-N
XLogP0.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol (CID 79383856) is 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cnc(CN)cn1.
What is the InChIKey of 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is QKOZGPFWQVUAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-15(8-11(2,3)16)10-7-13-9(5-12)6-14-10/h6-7,16H,4-5,8,12H2,1-3H3.
What are the key properties of 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol?
1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)pyrazin-2-yl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79383856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).