7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine

C13H19N3 — CID 131991346

IUPAC7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine
SMILESCCC(C)(C)Nc1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C13H19N3/c1-5-13(3,4)15-11-6-9(2)12-10(7-11)8-14-16-12/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyNRWRNYOSNCMBNP-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.47
Rot. Bonds3

About 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine

7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine (PubChem CID 131991346) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine.

Molecular Properties

Compound Name7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine
PubChem CID131991346
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine
SMILESCCC(C)(C)Nc1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C13H19N3/c1-5-13(3,4)15-11-6-9(2)12-10(7-11)8-14-16-12/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyNRWRNYOSNCMBNP-UHFFFAOYSA-N
XLogP3.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine?
The IUPAC name of 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine (CID 131991346) is 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine.
What is the SMILES notation for 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine?
The canonical SMILES for 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine is CCC(C)(C)Nc1cc(C)c2[nH]ncc2c1.
What is the InChIKey of 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine?
The InChIKey is NRWRNYOSNCMBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-13(3,4)15-11-6-9(2)12-10(7-11)8-14-16-12/h6-8,15H,5H2,1-4H3,(H,14,16).
What are the key properties of 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine?
7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine has a molecular weight of 217.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylbutan-2-yl)-1H-indazol-5-amine is sourced from PubChem (CID 131991346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).