2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine

C115H140ClN17O4 — CID 159784999

IUPAC2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine
SMILESCC(C)c1ccc(CC2CCCCC2)nn1.CC(C)c1ccc(Cc2ccccc2Cl)nn1.CC(C)c1cnc(Cc2ccccc2)cn1.CC(C)c1cncc(Cc2ccccc2)n1.COc1ccccc1Cc1ccc(C(C)C)nn1.COc1ccccc1Cc1cnc(C(C)C)cn1.COc1ccccc1Cc1cncc(C(C)C)n1.COc1ccccc1Nc1cnc(C(C)C)cn1
InChIInChI=1S/3C15H18N2O.C14H15ClN2.C14H17N3O.2C14H16N2.C14H22N2/c1-11(2)14-10-16-13(9-17-14)8-12-6-4-5-7-15(12)18-3;1-11(2)14-10-16-9-13(17-14)8-12-6-4-5-7-15(12)18-3;1-11(2)14-9-8-13(16-17-14)10-12-6-4-5-7-15(12)18-3;1-10(2)14-8-7-12(16-17-14)9-11-5-3-4-6-13(11)15;1-10(2)12-8-16-14(9-15-12)17-11-6-4-5-7-13(11)18-3;1-11(2)14-10-15-13(9-16-14)8-12-6-4-3-5-7-12;1-11(2)14-10-15-9-13(16-14)8-12-6-4-3-5-7-12;1-11(2)14-9-8-13(15-16-14)10-12-6-4-3-5-7-12/h2*4-7,9-11H,8H2,1-3H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;4-10H,1-3H3,(H,16,17);2*3-7,9-11H,8H2,1-2H3;8-9,11-12H,3-7,10H2,1-2H3
InChIKeyNHVLJAUBHLXWEF-UHFFFAOYSA-N
MW1859.95 g/mol
LogP26.90
Rot. Bonds28

About 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine

2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine (PubChem CID 159784999) has the molecular formula C115H140ClN17O4 and a molecular weight of 1859.95 g/mol. Its IUPAC name is 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine
PubChem CID159784999
Molecular FormulaC115H140ClN17O4
Molecular Weight1859.95 g/mol
Exact Mass1858.10
IUPAC Name2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine
SMILESCC(C)c1ccc(CC2CCCCC2)nn1.CC(C)c1ccc(Cc2ccccc2Cl)nn1.CC(C)c1cnc(Cc2ccccc2)cn1.CC(C)c1cncc(Cc2ccccc2)n1.COc1ccccc1Cc1ccc(C(C)C)nn1.COc1ccccc1Cc1cnc(C(C)C)cn1.COc1ccccc1Cc1cncc(C(C)C)n1.COc1ccccc1Nc1cnc(C(C)C)cn1
InChIInChI=1S/3C15H18N2O.C14H15ClN2.C14H17N3O.2C14H16N2.C14H22N2/c1-11(2)14-10-16-13(9-17-14)8-12-6-4-5-7-15(12)18-3;1-11(2)14-10-16-9-13(17-14)8-12-6-4-5-7-15(12)18-3;1-11(2)14-9-8-13(16-17-14)10-12-6-4-5-7-15(12)18-3;1-10(2)14-8-7-12(16-17-14)9-11-5-3-4-6-13(11)15;1-10(2)12-8-16-14(9-15-12)17-11-6-4-5-7-13(11)18-3;1-11(2)14-10-15-13(9-16-14)8-12-6-4-3-5-7-12;1-11(2)14-10-15-9-13(16-14)8-12-6-4-3-5-7-12;1-11(2)14-9-8-13(15-16-14)10-12-6-4-3-5-7-12/h2*4-7,9-11H,8H2,1-3H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;4-10H,1-3H3,(H,16,17);2*3-7,9-11H,8H2,1-2H3;8-9,11-12H,3-7,10H2,1-2H3
InChIKeyNHVLJAUBHLXWEF-UHFFFAOYSA-N
XLogP26.90
TPSA255.19 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms137
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.95
LogP ≤ 526.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine?
The IUPAC name of 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine (CID 159784999) is 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine?
The canonical SMILES for 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine is CC(C)c1ccc(CC2CCCCC2)nn1.CC(C)c1ccc(Cc2ccccc2Cl)nn1.CC(C)c1cnc(Cc2ccccc2)cn1.CC(C)c1cncc(Cc2ccccc2)n1.COc1ccccc1Cc1ccc(C(C)C)nn1.COc1ccccc1Cc1cnc(C(C)C)cn1.COc1ccccc1Cc1cncc(C(C)C)n1.COc1ccccc1Nc1cnc(C(C)C)cn1.
What is the InChIKey of 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine?
The InChIKey is NHVLJAUBHLXWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H18N2O.C14H15ClN2.C14H17N3O.2C14H16N2.C14H22N2/c1-11(2)14-10-16-13(9-17-14)8-12-6-4-5-7-15(12)18-3;1-11(2)14-10-16-9-13(17-14)8-12-6-4-5-7-15(12)18-3;1-11(2)14-9-8-13(16-17-14)10-12-6-4-5-7-15(12)18-3;1-10(2)14-8-7-12(16-17-14)9-11-5-3-4-6-13(11)15;1-10(2)12-8-16-14(9-15-12)17-11-6-4-5-7-13(11)18-3;1-11(2)14-10-15-13(9-16-14)8-12-6-4-3-5-7-12;1-11(2)14-10-15-9-13(16-14)8-12-6-4-3-5-7-12;1-11(2)14-9-8-13(15-16-14)10-12-6-4-3-5-7-12/h2*4-7,9-11H,8H2,1-3H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;4-10H,1-3H3,(H,16,17);2*3-7,9-11H,8H2,1-2H3;8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine?
2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine has a molecular weight of 1859.95 g/mol, XLogP of 26.90, 28 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrazine;2-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyrazine;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 159784999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).