3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole

C37H42N8 — CID 159123882

IUPAC3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole
SMILESCc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2cn[nH]c2c1
InChIInChI=1S/2C10H12N2.C9H10N2.C8H8N2/c1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-2-3-7-5-9-10-8(7)4-6/h2*4-6H,1-3H3;3-5H,1-2H3,(H,10,11);2-5H,1H3,(H,9,10)
InChIKeyKGAQUEJLHSZTLW-UHFFFAOYSA-N
MW598.80 g/mol
LogP8.43
Rot. Bonds

About 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole

3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole (PubChem CID 159123882) has the molecular formula C37H42N8 and a molecular weight of 598.80 g/mol. Its IUPAC name is 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole.

Molecular Properties

Compound Name3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole
PubChem CID159123882
Molecular FormulaC37H42N8
Molecular Weight598.80 g/mol
Exact Mass598.35
IUPAC Name3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole
SMILESCc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2cn[nH]c2c1
InChIInChI=1S/2C10H12N2.C9H10N2.C8H8N2/c1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-2-3-7-5-9-10-8(7)4-6/h2*4-6H,1-3H3;3-5H,1-2H3,(H,10,11);2-5H,1H3,(H,9,10)
InChIKeyKGAQUEJLHSZTLW-UHFFFAOYSA-N
XLogP8.43
TPSA93.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.80
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole
CID 155523491
1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole
CID 155535046
3-(1-methylpyrazol-4-yl)-5-phenyl-1H-indazole
CID 164620370
3-(1-methylpyrazol-4-yl)-N-phenyl-1H-indazol-5-amine
CID 164623170
3,5-bis(1-benzyltriazol-4-yl)-1H-indazole
CID 25164271
6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole
CID 155534704
3-(1-methylpyrazol-4-yl)-1H-indazol-5-amine
CID 39220094
3-3'-(1H-pyrazole-3,5-diyl)bis(1-methyl-1H-indole)
CID 44433919
3-(1-phenylpyrazol-4-yl)-1H-indazole
CID 70683531
6-(1-methylpyrazol-4-yl)-1H-indazole
CID 118917376
US11420958, Ex. No. 395
CID 156190816

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole?
The IUPAC name of 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole (CID 159123882) is 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole.
What is the SMILES notation for 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole?
The canonical SMILES for 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole is Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2cn[nH]c2c1.
What is the InChIKey of 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole?
The InChIKey is KGAQUEJLHSZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2.C9H10N2.C8H8N2/c1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-2-3-7-5-9-10-8(7)4-6/h2*4-6H,1-3H3;3-5H,1-2H3,(H,10,11);2-5H,1H3,(H,9,10).
What are the key properties of 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole?
3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole has a molecular weight of 598.80 g/mol, XLogP of 8.43, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2H-indazole;6-methyl-1H-indazole;1,3,6-trimethylindazole;2,3,6-trimethylindazole is sourced from PubChem (CID 159123882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).