6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine

C10H14ClN3O — CID 47370768

IUPAC6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine
SMILESClc1cncc(NCC2CCCOC2)n1
InChIInChI=1S/C10H14ClN3O/c11-9-5-12-6-10(14-9)13-4-8-2-1-3-15-7-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeyPLIYCSWWLUULGX-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.97
Rot. Bonds3

About 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine

6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine (PubChem CID 47370768) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine
PubChem CID47370768
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine
SMILESClc1cncc(NCC2CCCOC2)n1
InChIInChI=1S/C10H14ClN3O/c11-9-5-12-6-10(14-9)13-4-8-2-1-3-15-7-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeyPLIYCSWWLUULGX-UHFFFAOYSA-N
XLogP1.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine (CID 47370768) is 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine is Clc1cncc(NCC2CCCOC2)n1.
What is the InChIKey of 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine?
The InChIKey is PLIYCSWWLUULGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-5-12-6-10(14-9)13-4-8-2-1-3-15-7-8/h5-6,8H,1-4,7H2,(H,13,14).
What are the key properties of 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine?
6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine has a molecular weight of 227.69 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 47370768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).