1-(2-methylpropyl)benzotriazol-4-amine

C10H14N4 — CID 163567047

IUPAC1-(2-methylpropyl)benzotriazol-4-amine
SMILESCC(C)Cn1nnc2c(N)cccc21
InChIInChI=1S/C10H14N4/c1-7(2)6-14-9-5-3-4-8(11)10(9)12-13-14/h3-5,7H,6,11H2,1-2H3
InChIKeyFWBZYLNWGALFGE-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.67
Rot. Bonds2

About 1-(2-methylpropyl)benzotriazol-4-amine

1-(2-methylpropyl)benzotriazol-4-amine (PubChem CID 163567047) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(2-methylpropyl)benzotriazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)benzotriazol-4-amine
PubChem CID163567047
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-(2-methylpropyl)benzotriazol-4-amine
SMILESCC(C)Cn1nnc2c(N)cccc21
InChIInChI=1S/C10H14N4/c1-7(2)6-14-9-5-3-4-8(11)10(9)12-13-14/h3-5,7H,6,11H2,1-2H3
InChIKeyFWBZYLNWGALFGE-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)benzotriazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)benzotriazol-4-amine (CID 163567047) is 1-(2-methylpropyl)benzotriazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)benzotriazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)benzotriazol-4-amine is CC(C)Cn1nnc2c(N)cccc21.
What is the InChIKey of 1-(2-methylpropyl)benzotriazol-4-amine?
The InChIKey is FWBZYLNWGALFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7(2)6-14-9-5-3-4-8(11)10(9)12-13-14/h3-5,7H,6,11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)benzotriazol-4-amine?
1-(2-methylpropyl)benzotriazol-4-amine has a molecular weight of 190.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)benzotriazol-4-amine is sourced from PubChem (CID 163567047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).