N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine

C14H17N3O — CID 103057962

IUPACN-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine
SMILESCCNc1cnc(COCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c1-2-15-14-9-16-13(8-17-14)11-18-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,15,17)
InChIKeyQKZWXMFQEJAMNL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.63
Rot. Bonds6

About N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine

N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine (PubChem CID 103057962) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine
PubChem CID103057962
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine
SMILESCCNc1cnc(COCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c1-2-15-14-9-16-13(8-17-14)11-18-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,15,17)
InChIKeyQKZWXMFQEJAMNL-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine (CID 103057962) is N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine is CCNc1cnc(COCc2ccccc2)cn1.
What is the InChIKey of N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine?
The InChIKey is QKZWXMFQEJAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-15-14-9-16-13(8-17-14)11-18-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,15,17).
What are the key properties of N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine?
N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103057962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).