N-(2,6-dimethylphenyl)-1-methylindazol-6-amine

C16H17N3 — CID 82536153

IUPACN-(2,6-dimethylphenyl)-1-methylindazol-6-amine
SMILESCc1cccc(C)c1Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C16H17N3/c1-11-5-4-6-12(2)16(11)18-14-8-7-13-10-17-19(3)15(13)9-14/h4-10,18H,1-3H3
InChIKeyNBHWDVUDZAXZKB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.93
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1-methylindazol-6-amine

N-(2,6-dimethylphenyl)-1-methylindazol-6-amine (PubChem CID 82536153) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-methylindazol-6-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-methylindazol-6-amine
PubChem CID82536153
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-(2,6-dimethylphenyl)-1-methylindazol-6-amine
SMILESCc1cccc(C)c1Nc1ccc2cnn(C)c2c1
InChIInChI=1S/C16H17N3/c1-11-5-4-6-12(2)16(11)18-14-8-7-13-10-17-19(3)15(13)9-14/h4-10,18H,1-3H3
InChIKeyNBHWDVUDZAXZKB-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-methylindazol-6-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-1-methylindazol-6-amine (CID 82536153) is N-(2,6-dimethylphenyl)-1-methylindazol-6-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-methylindazol-6-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-methylindazol-6-amine is Cc1cccc(C)c1Nc1ccc2cnn(C)c2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-methylindazol-6-amine?
The InChIKey is NBHWDVUDZAXZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-5-4-6-12(2)16(11)18-14-8-7-13-10-17-19(3)15(13)9-14/h4-10,18H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-1-methylindazol-6-amine?
N-(2,6-dimethylphenyl)-1-methylindazol-6-amine has a molecular weight of 251.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-methylindazol-6-amine is sourced from PubChem (CID 82536153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).