2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol

C11H17N3O — CID 65418206

IUPAC2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
SMILESCc1cnc(C)c(N(CCO)C2CC2)n1
InChIInChI=1S/C11H17N3O/c1-8-7-12-9(2)11(13-8)14(5-6-15)10-3-4-10/h7,10,15H,3-6H2,1-2H3
InChIKeyMLNBSFNERAGXMF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.05
Rot. Bonds4

About 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol

2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol (PubChem CID 65418206) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
PubChem CID65418206
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
SMILESCc1cnc(C)c(N(CCO)C2CC2)n1
InChIInChI=1S/C11H17N3O/c1-8-7-12-9(2)11(13-8)14(5-6-15)10-3-4-10/h7,10,15H,3-6H2,1-2H3
InChIKeyMLNBSFNERAGXMF-UHFFFAOYSA-N
XLogP1.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol (CID 65418206) is 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol is Cc1cnc(C)c(N(CCO)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol?
The InChIKey is MLNBSFNERAGXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-12-9(2)11(13-8)14(5-6-15)10-3-4-10/h7,10,15H,3-6H2,1-2H3.
What are the key properties of 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol?
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol has a molecular weight of 207.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 65418206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).