N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine

C13H15N3 — CID 60967003

IUPACN-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
SMILESCc1ccc(C(C)Nc2cnccn2)cc1
InChIInChI=1S/C13H15N3/c1-10-3-5-12(6-4-10)11(2)16-13-9-14-7-8-15-13/h3-9,11H,1-2H3,(H,15,16)
InChIKeyPFEULSXTTDOUBQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine

N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine (PubChem CID 60967003) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
PubChem CID60967003
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
SMILESCc1ccc(C(C)Nc2cnccn2)cc1
InChIInChI=1S/C13H15N3/c1-10-3-5-12(6-4-10)11(2)16-13-9-14-7-8-15-13/h3-9,11H,1-2H3,(H,15,16)
InChIKeyPFEULSXTTDOUBQ-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine (CID 60967003) is N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine is Cc1ccc(C(C)Nc2cnccn2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine?
The InChIKey is PFEULSXTTDOUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-3-5-12(6-4-10)11(2)16-13-9-14-7-8-15-13/h3-9,11H,1-2H3,(H,15,16).
What are the key properties of N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine?
N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 60967003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).