1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol

C9H16N4O — CID 103872975

IUPAC1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nccnc1N
InChIInChI=1S/C9H16N4O/c1-9(2,14)6-13(3)8-7(10)11-4-5-12-8/h4-5,14H,6H2,1-3H3,(H2,10,11)
InChIKeyJHKRRDSPYFDWKS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.27
Rot. Bonds3

About 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol

1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 103872975) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID103872975
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nccnc1N
InChIInChI=1S/C9H16N4O/c1-9(2,14)6-13(3)8-7(10)11-4-5-12-8/h4-5,14H,6H2,1-3H3,(H2,10,11)
InChIKeyJHKRRDSPYFDWKS-UHFFFAOYSA-N
XLogP0.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol (CID 103872975) is 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1nccnc1N.
What is the InChIKey of 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is JHKRRDSPYFDWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,14)6-13(3)8-7(10)11-4-5-12-8/h4-5,14H,6H2,1-3H3,(H2,10,11).
What are the key properties of 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminopyrazin-2-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 103872975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).