4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine

C110H121Cl2N27O10S3 — CID 159043072

About 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine

4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine (PubChem CID 159043072) has the molecular formula C110H121Cl2N27O10S3 and a molecular weight of 2148.46 g/mol. Its IUPAC name is 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine.

Molecular Properties

• Compound Name: 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine
• PubChem CID: 159043072
• Molecular Formula: C110H121Cl2N27O10S3
• Molecular Weight: 2148.46 g/mol
• Exact Mass: 2145.83
• IUPAC Name: 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine
• SMILES: COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc(Cl)ccn1.Cc1cc(N)ccn1.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(Cl)s1.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1cccc(N)n1.Cc1ccccc1-c1n[nH]c(=O)[nH]1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
• InChI: InChI=1S/C10H11N3.2C10H10N2.3C9H9N3O.C9H8N2O2.C8H11NO3S.C7H9NO2S.C6H6ClN.3C6H8N2.C5H5ClS/c1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)11(8,9)10;2*1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2-6H,11H2,1H3;3*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H,10,11,12);3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);2-4H,1H3;3*2-4H,1H3,(H2,7,8);2-3H,1H3
• InChIKey: JWHWOXGJQHLJFZ-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 645.43 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 29
• Rotatable Bonds: 7
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.46
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine?

The IUPAC name of 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine (CID 159043072) is 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine.

What is the SMILES notation for 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine?

The canonical SMILES for 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine is COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc(Cl)ccn1.Cc1cc(N)ccn1.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(Cl)s1.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1cccc(N)n1.Cc1ccccc1-c1n[nH]c(=O)[nH]1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.

What is the InChIKey of 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine?

The InChIKey is JWHWOXGJQHLJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.2C10H10N2.3C9H9N3O.C9H8N2O2.C8H11NO3S.C7H9NO2S.C6H6ClN.3C6H8N2.C5H5ClS/c1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)11(8,9)10;2*1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2-6H,11H2,1H3;3*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H,10,11,12);3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);2-4H,1H3;3*2-4H,1H3,(H2,7,8);2-3H,1H3.

What are the key properties of 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine?

4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine has a molecular weight of 2148.46 g/mol, XLogP of 19.48, 7 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine is sourced from PubChem (CID 159043072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).