N-benzyl-6-(3-methylphenyl)pyrazin-2-amine

C18H17N3 — CID 140905455

IUPACN-benzyl-6-(3-methylphenyl)pyrazin-2-amine
SMILESCc1cccc(-c2cncc(NCc3ccccc3)n2)c1
InChIInChI=1S/C18H17N3/c1-14-6-5-9-16(10-14)17-12-19-13-18(21-17)20-11-15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,20,21)
InChIKeyMXTOUGZOBITIOG-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.06
Rot. Bonds4

About N-benzyl-6-(3-methylphenyl)pyrazin-2-amine

N-benzyl-6-(3-methylphenyl)pyrazin-2-amine (PubChem CID 140905455) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-benzyl-6-(3-methylphenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-(3-methylphenyl)pyrazin-2-amine
PubChem CID140905455
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-benzyl-6-(3-methylphenyl)pyrazin-2-amine
SMILESCc1cccc(-c2cncc(NCc3ccccc3)n2)c1
InChIInChI=1S/C18H17N3/c1-14-6-5-9-16(10-14)17-12-19-13-18(21-17)20-11-15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,20,21)
InChIKeyMXTOUGZOBITIOG-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methylphenyl)pyrazin-2-amine?
The IUPAC name of N-benzyl-6-(3-methylphenyl)pyrazin-2-amine (CID 140905455) is N-benzyl-6-(3-methylphenyl)pyrazin-2-amine.
What is the SMILES notation for N-benzyl-6-(3-methylphenyl)pyrazin-2-amine?
The canonical SMILES for N-benzyl-6-(3-methylphenyl)pyrazin-2-amine is Cc1cccc(-c2cncc(NCc3ccccc3)n2)c1.
What is the InChIKey of N-benzyl-6-(3-methylphenyl)pyrazin-2-amine?
The InChIKey is MXTOUGZOBITIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-6-5-9-16(10-14)17-12-19-13-18(21-17)20-11-15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,20,21).
What are the key properties of N-benzyl-6-(3-methylphenyl)pyrazin-2-amine?
N-benzyl-6-(3-methylphenyl)pyrazin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-methylphenyl)pyrazin-2-amine is sourced from PubChem (CID 140905455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).