N-(2-ethylbutyl)-1H-indazol-7-amine

C13H19N3 — CID 43730884

IUPACN-(2-ethylbutyl)-1H-indazol-7-amine
SMILESCCC(CC)CNc1cccc2cn[nH]c12
InChIInChI=1S/C13H19N3/c1-3-10(4-2)8-14-12-7-5-6-11-9-15-16-13(11)12/h5-7,9-10,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyVAVRDQJPOWQPHH-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.41
Rot. Bonds5

About N-(2-ethylbutyl)-1H-indazol-7-amine

N-(2-ethylbutyl)-1H-indazol-7-amine (PubChem CID 43730884) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1H-indazol-7-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1H-indazol-7-amine
PubChem CID43730884
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(2-ethylbutyl)-1H-indazol-7-amine
SMILESCCC(CC)CNc1cccc2cn[nH]c12
InChIInChI=1S/C13H19N3/c1-3-10(4-2)8-14-12-7-5-6-11-9-15-16-13(11)12/h5-7,9-10,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyVAVRDQJPOWQPHH-UHFFFAOYSA-N
XLogP3.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1H-indazol-7-amine?
The IUPAC name of N-(2-ethylbutyl)-1H-indazol-7-amine (CID 43730884) is N-(2-ethylbutyl)-1H-indazol-7-amine.
What is the SMILES notation for N-(2-ethylbutyl)-1H-indazol-7-amine?
The canonical SMILES for N-(2-ethylbutyl)-1H-indazol-7-amine is CCC(CC)CNc1cccc2cn[nH]c12.
What is the InChIKey of N-(2-ethylbutyl)-1H-indazol-7-amine?
The InChIKey is VAVRDQJPOWQPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-10(4-2)8-14-12-7-5-6-11-9-15-16-13(11)12/h5-7,9-10,14H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylbutyl)-1H-indazol-7-amine?
N-(2-ethylbutyl)-1H-indazol-7-amine has a molecular weight of 217.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1H-indazol-7-amine is sourced from PubChem (CID 43730884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).