5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine

C15H17N5 — CID 3639923

IUPAC5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine
SMILESCCC(c1cnc(N)c(C)c1)n1nnc2ccccc21
InChIInChI=1S/C15H17N5/c1-3-13(11-8-10(2)15(16)17-9-11)20-14-7-5-4-6-12(14)18-19-20/h4-9,13H,3H2,1-2H3,(H2,16,17)
InChIKeyJPEWBAZZRLWZFZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.72
Rot. Bonds3

About 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine

5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine (PubChem CID 3639923) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine
PubChem CID3639923
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine
SMILESCCC(c1cnc(N)c(C)c1)n1nnc2ccccc21
InChIInChI=1S/C15H17N5/c1-3-13(11-8-10(2)15(16)17-9-11)20-14-7-5-4-6-12(14)18-19-20/h4-9,13H,3H2,1-2H3,(H2,16,17)
InChIKeyJPEWBAZZRLWZFZ-UHFFFAOYSA-N
XLogP2.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)propyl]benzotriazole
CID 3828337
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
5-[1-(benzotriazol-1-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 66891218
2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine
CID 134208512
1-[3,3-diethoxy-1-(3-methylphenyl)propyl]benzotriazole
CID 10497309
1-(1-pyridin-2-ylpentyl)benzotriazole
CID 3562053
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
CID 3827828
1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
CID 3540925
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
1-(benzotriazol-1-yl)propyl benzoate
CID 3780036

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine (CID 3639923) is 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine is CCC(c1cnc(N)c(C)c1)n1nnc2ccccc21.
What is the InChIKey of 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine?
The InChIKey is JPEWBAZZRLWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-13(11-8-10(2)15(16)17-9-11)20-14-7-5-4-6-12(14)18-19-20/h4-9,13H,3H2,1-2H3,(H2,16,17).
What are the key properties of 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine?
5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzotriazol-1-yl)propyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 3639923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).