N-[(4-methylphenyl)methyl]pyrazin-2-amine

C12H13N3 — CID 3352268

IUPACN-[(4-methylphenyl)methyl]pyrazin-2-amine
SMILESCc1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C12H13N3/c1-10-2-4-11(5-3-10)8-15-12-9-13-6-7-14-12/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyGPCMLUGQJZJJDJ-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.40
Rot. Bonds3

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

N-[(4-methylphenyl)methyl]pyrazin-2-amine (PubChem CID 3352268) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]pyrazin-2-amine
PubChem CID3352268
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-[(4-methylphenyl)methyl]pyrazin-2-amine
SMILESCc1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C12H13N3/c1-10-2-4-11(5-3-10)8-15-12-9-13-6-7-14-12/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyGPCMLUGQJZJJDJ-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]pyrazin-2-amine (CID 3352268) is N-[(4-methylphenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]pyrazin-2-amine is Cc1ccc(CNc2cnccn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]pyrazin-2-amine?
The InChIKey is GPCMLUGQJZJJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-10-2-4-11(5-3-10)8-15-12-9-13-6-7-14-12/h2-7,9H,8H2,1H3,(H,14,15).
What are the key properties of N-[(4-methylphenyl)methyl]pyrazin-2-amine?
N-[(4-methylphenyl)methyl]pyrazin-2-amine has a molecular weight of 199.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 3352268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).