N-(2-phenylethyl)pyrazin-2-amine

C12H13N3 — CID 3265909

IUPACN-(2-phenylethyl)pyrazin-2-amine
SMILESc1ccc(CCNc2cnccn2)cc1
InChIInChI=1S/C12H13N3/c1-2-4-11(5-3-1)6-7-14-12-10-13-8-9-15-12/h1-5,8-10H,6-7H2,(H,14,15)
InChIKeyMRZQOOYOLNLHAF-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.13
Rot. Bonds4

About N-(2-phenylethyl)pyrazin-2-amine

N-(2-phenylethyl)pyrazin-2-amine (PubChem CID 3265909) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-(2-phenylethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)pyrazin-2-amine
PubChem CID3265909
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-(2-phenylethyl)pyrazin-2-amine
SMILESc1ccc(CCNc2cnccn2)cc1
InChIInChI=1S/C12H13N3/c1-2-4-11(5-3-1)6-7-14-12-10-13-8-9-15-12/h1-5,8-10H,6-7H2,(H,14,15)
InChIKeyMRZQOOYOLNLHAF-UHFFFAOYSA-N
XLogP2.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)pyrazin-2-amine?
The IUPAC name of N-(2-phenylethyl)pyrazin-2-amine (CID 3265909) is N-(2-phenylethyl)pyrazin-2-amine.
What is the SMILES notation for N-(2-phenylethyl)pyrazin-2-amine?
The canonical SMILES for N-(2-phenylethyl)pyrazin-2-amine is c1ccc(CCNc2cnccn2)cc1.
What is the InChIKey of N-(2-phenylethyl)pyrazin-2-amine?
The InChIKey is MRZQOOYOLNLHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-4-11(5-3-1)6-7-14-12-10-13-8-9-15-12/h1-5,8-10H,6-7H2,(H,14,15).
What are the key properties of N-(2-phenylethyl)pyrazin-2-amine?
N-(2-phenylethyl)pyrazin-2-amine has a molecular weight of 199.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)pyrazin-2-amine is sourced from PubChem (CID 3265909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).