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

C11H10ClN3 — CID 3849617

IUPACN-[(4-chlorophenyl)methyl]pyrazin-2-amine
SMILESClc1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C11H10ClN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)
InChIKeyTYIVUMPBFZGFPS-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.74
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]pyrazin-2-amine (PubChem CID 3849617) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]pyrazin-2-amine
PubChem CID3849617
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC NameN-[(4-chlorophenyl)methyl]pyrazin-2-amine
SMILESClc1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C11H10ClN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)
InChIKeyTYIVUMPBFZGFPS-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]pyrazin-2-amine (CID 3849617) is N-[(4-chlorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]pyrazin-2-amine is Clc1ccc(CNc2cnccn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]pyrazin-2-amine?
The InChIKey is TYIVUMPBFZGFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15).
What are the key properties of N-[(4-chlorophenyl)methyl]pyrazin-2-amine?
N-[(4-chlorophenyl)methyl]pyrazin-2-amine has a molecular weight of 219.68 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 3849617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).