3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine

C11H17N3O — CID 83063778

IUPAC3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESCc1nccnc1NCC1CCOCC1
InChIInChI=1S/C11H17N3O/c1-9-11(13-5-4-12-9)14-8-10-2-6-15-7-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyZEZCKXSKNILKHE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.62
Rot. Bonds3

About 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine

3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine (PubChem CID 83063778) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
PubChem CID83063778
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESCc1nccnc1NCC1CCOCC1
InChIInChI=1S/C11H17N3O/c1-9-11(13-5-4-12-9)14-8-10-2-6-15-7-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyZEZCKXSKNILKHE-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine (CID 83063778) is 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine is Cc1nccnc1NCC1CCOCC1.
What is the InChIKey of 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The InChIKey is ZEZCKXSKNILKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-11(13-5-4-12-9)14-8-10-2-6-15-7-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14).
What are the key properties of 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 83063778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).