5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride

C16H21Cl3N4 — CID 23134481

IUPAC5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2N)cc1.Cl.Cl.Cl
InChIInChI=1S/C16H18N4.3ClH/c1-16(2,18)11-5-3-10(4-6-11)12-7-8-14-13(15(12)17)9-19-20-14;;;/h3-9H,17-18H2,1-2H3,(H,19,20);3*1H
InChIKeyUWBWYXGOYRFFGG-UHFFFAOYSA-N
MW375.73 g/mol
LogP4.27
Rot. Bonds2

About 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride

5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride (PubChem CID 23134481) has the molecular formula C16H21Cl3N4 and a molecular weight of 375.73 g/mol. Its IUPAC name is 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride.

Molecular Properties

Compound Name5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
PubChem CID23134481
Molecular FormulaC16H21Cl3N4
Molecular Weight375.73 g/mol
Exact Mass374.08
IUPAC Name5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2N)cc1.Cl.Cl.Cl
InChIInChI=1S/C16H18N4.3ClH/c1-16(2,18)11-5-3-10(4-6-11)12-7-8-14-13(15(12)17)9-19-20-14;;;/h3-9H,17-18H2,1-2H3,(H,19,20);3*1H
InChIKeyUWBWYXGOYRFFGG-UHFFFAOYSA-N
XLogP4.27
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride?
The IUPAC name of 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride (CID 23134481) is 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride.
What is the SMILES notation for 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride?
The canonical SMILES for 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride is CC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2N)cc1.Cl.Cl.Cl.
What is the InChIKey of 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride?
The InChIKey is UWBWYXGOYRFFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4.3ClH/c1-16(2,18)11-5-3-10(4-6-11)12-7-8-14-13(15(12)17)9-19-20-14;;;/h3-9H,17-18H2,1-2H3,(H,19,20);3*1H.
What are the key properties of 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride?
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride has a molecular weight of 375.73 g/mol, XLogP of 4.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride is sourced from PubChem (CID 23134481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).