N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

C49H64N18 — CID 159443378

About N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 159443378) has the molecular formula C49H64N18 and a molecular weight of 905.18 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

• Compound Name: N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
• PubChem CID: 159443378
• Molecular Formula: C49H64N18
• Molecular Weight: 905.18 g/mol
• Exact Mass: 904.56
• IUPAC Name: N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
• SMILES: C.CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1n[nH]c2c1CCCC2.Cc1nc(C)nc(Nc2n[nH]c3ccccc23)n1
• InChI: InChI=1S/C12H12N6.C10H16N2.2C9H11N3.C8H10N4.CH4/c1-7-13-8(2)15-12(14-7)16-11-9-5-3-4-6-10(9)17-18-11;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)8-7-4-3-5-10-9(7)12-11-8;1-5(2)7-6-3-9-4-10-8(6)12-11-7;/h3-6H,1-2H3,(H2,13,14,15,16,17,18);7H,3-6H2,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12);1H4
• InChIKey: LSLJKZGZNDACJF-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 245.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	905.18
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?

The IUPAC name of N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (CID 159443378) is N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

What is the SMILES notation for N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?

The canonical SMILES for N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is C.CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1n[nH]c2c1CCCC2.Cc1nc(C)nc(Nc2n[nH]c3ccccc23)n1.

What is the InChIKey of N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?

The InChIKey is LSLJKZGZNDACJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6.C10H16N2.2C9H11N3.C8H10N4.CH4/c1-7-13-8(2)15-12(14-7)16-11-9-5-3-4-6-10(9)17-18-11;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)8-7-4-3-5-10-9(7)12-11-8;1-5(2)7-6-3-9-4-10-8(6)12-11-7;/h3-6H,1-2H3,(H2,13,14,15,16,17,18);7H,3-6H2,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12);1H4.

What are the key properties of N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?

N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 905.18 g/mol, XLogP of 10.80, 6 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-dimethyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;methane;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 159443378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).