6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol

C12H21N3O — CID 118649570

IUPAC6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol
SMILESCC(C)N1CCN2C(=C(O)C=CC2CN)C1
InChIInChI=1S/C12H21N3O/c1-9(2)14-5-6-15-10(7-13)3-4-12(16)11(15)8-14/h3-4,9-10,16H,5-8,13H2,1-2H3
InChIKeyFGMDCNCMMSXMNG-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.68
Rot. Bonds2

About 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol

6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol (PubChem CID 118649570) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol.

Molecular Properties

Compound Name6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol
PubChem CID118649570
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol
SMILESCC(C)N1CCN2C(=C(O)C=CC2CN)C1
InChIInChI=1S/C12H21N3O/c1-9(2)14-5-6-15-10(7-13)3-4-12(16)11(15)8-14/h3-4,9-10,16H,5-8,13H2,1-2H3
InChIKeyFGMDCNCMMSXMNG-UHFFFAOYSA-N
XLogP0.68
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol?
The IUPAC name of 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol (CID 118649570) is 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol.
What is the SMILES notation for 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol?
The canonical SMILES for 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol is CC(C)N1CCN2C(=C(O)C=CC2CN)C1.
What is the InChIKey of 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol?
The InChIKey is FGMDCNCMMSXMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)14-5-6-15-10(7-13)3-4-12(16)11(15)8-14/h3-4,9-10,16H,5-8,13H2,1-2H3.
What are the key properties of 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol?
6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol has a molecular weight of 223.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-propan-2-yl-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-9-ol is sourced from PubChem (CID 118649570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).