[6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol

C9H15N3O — CID 66467744

IUPAC[6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol
SMILESCC(C)N(C)c1cncc(CO)n1
InChIInChI=1S/C9H15N3O/c1-7(2)12(3)9-5-10-4-8(6-13)11-9/h4-5,7,13H,6H2,1-3H3
InChIKeyLCAAYRLIQNSQBF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.81
Rot. Bonds3

About [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol

[6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol (PubChem CID 66467744) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol
PubChem CID66467744
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol
SMILESCC(C)N(C)c1cncc(CO)n1
InChIInChI=1S/C9H15N3O/c1-7(2)12(3)9-5-10-4-8(6-13)11-9/h4-5,7,13H,6H2,1-3H3
InChIKeyLCAAYRLIQNSQBF-UHFFFAOYSA-N
XLogP0.81
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol?
The IUPAC name of [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol (CID 66467744) is [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol is CC(C)N(C)c1cncc(CO)n1.
What is the InChIKey of [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol?
The InChIKey is LCAAYRLIQNSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)12(3)9-5-10-4-8(6-13)11-9/h4-5,7,13H,6H2,1-3H3.
What are the key properties of [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol?
[6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol is sourced from PubChem (CID 66467744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).