6-butan-2-yl-1-methylindazole

C12H16N2 — CID 118069514

IUPAC6-butan-2-yl-1-methylindazole
SMILESCCC(C)c1ccc2cnn(C)c2c1
InChIInChI=1S/C12H16N2/c1-4-9(2)10-5-6-11-8-13-14(3)12(11)7-10/h5-9H,4H2,1-3H3
InChIKeyYLTKHTMWQFNYKJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.09
Rot. Bonds2

About 6-butan-2-yl-1-methylindazole

6-butan-2-yl-1-methylindazole (PubChem CID 118069514) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-butan-2-yl-1-methylindazole.

Molecular Properties

Compound Name6-butan-2-yl-1-methylindazole
PubChem CID118069514
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-butan-2-yl-1-methylindazole
SMILESCCC(C)c1ccc2cnn(C)c2c1
InChIInChI=1S/C12H16N2/c1-4-9(2)10-5-6-11-8-13-14(3)12(11)7-10/h5-9H,4H2,1-3H3
InChIKeyYLTKHTMWQFNYKJ-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-butan-2-yl-1-methylindazole 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

2-(1-methylindazol-6-yl)propan-1-ol
CID 117281911
3-chloro-1-(1-methylindazol-6-yl)propane-1,2-diol
CID 171862236
5-butan-2-yl-1-methylindazole;ethane;5-methyl-1H-pyrazole;prop-1-ene
CID 167447659
6-butan-2-yl-1-methyl-3-propan-2-ylindazole
CID 174350260
N,1-dimethylindazol-6-amine
CID 23544368
5-butan-2-yl-1-methylindole;ethane
CID 143601269
1-methylindazole-6-sulfonic acid
CID 22889763
1-methylindazole-6-sulfonyl fluoride
CID 156875828
3-methyl-N-(1-methylindazol-6-yl)butanamide
CID 110460673
ethane;(1-methylindazol-6-yl)methanol
CID 168921165
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-methylindazole?
The IUPAC name of 6-butan-2-yl-1-methylindazole (CID 118069514) is 6-butan-2-yl-1-methylindazole.
What is the SMILES notation for 6-butan-2-yl-1-methylindazole?
The canonical SMILES for 6-butan-2-yl-1-methylindazole is CCC(C)c1ccc2cnn(C)c2c1.
What is the InChIKey of 6-butan-2-yl-1-methylindazole?
The InChIKey is YLTKHTMWQFNYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-9(2)10-5-6-11-8-13-14(3)12(11)7-10/h5-9H,4H2,1-3H3.
What are the key properties of 6-butan-2-yl-1-methylindazole?
6-butan-2-yl-1-methylindazole has a molecular weight of 188.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-methylindazole is sourced from PubChem (CID 118069514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).