N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine

C17H20ClN3 — CID 10380151

IUPACN-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine
SMILESClc1cncc(N(Cc2ccccc2)C2CCCCC2)n1
InChIInChI=1S/C17H20ClN3/c18-16-11-19-12-17(20-16)21(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2
InChIKeyPEZAKCIAXFBZLR-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.47
Rot. Bonds4

About N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine

N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine (PubChem CID 10380151) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine
PubChem CID10380151
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine
SMILESClc1cncc(N(Cc2ccccc2)C2CCCCC2)n1
InChIInChI=1S/C17H20ClN3/c18-16-11-19-12-17(20-16)21(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2
InChIKeyPEZAKCIAXFBZLR-UHFFFAOYSA-N
XLogP4.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine?
The IUPAC name of N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine (CID 10380151) is N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine.
What is the SMILES notation for N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine?
The canonical SMILES for N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine is Clc1cncc(N(Cc2ccccc2)C2CCCCC2)n1.
What is the InChIKey of N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine?
The InChIKey is PEZAKCIAXFBZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-16-11-19-12-17(20-16)21(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2.
What are the key properties of N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine?
N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine has a molecular weight of 301.82 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine is sourced from PubChem (CID 10380151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).