3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C15H20N4 — CID 116532748

IUPAC3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC(C)(c1ccccc1)c1nnc2n1CC(N)CC2
InChIInChI=1S/C15H20N4/c1-15(2,11-6-4-3-5-7-11)14-18-17-13-9-8-12(16)10-19(13)14/h3-7,12H,8-10,16H2,1-2H3
InChIKeyYZEILGQSGSKWGQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds2

About 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 116532748) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID116532748
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC(C)(c1ccccc1)c1nnc2n1CC(N)CC2
InChIInChI=1S/C15H20N4/c1-15(2,11-6-4-3-5-7-11)14-18-17-13-9-8-12(16)10-19(13)14/h3-7,12H,8-10,16H2,1-2H3
InChIKeyYZEILGQSGSKWGQ-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 116532748) is 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CC(C)(c1ccccc1)c1nnc2n1CC(N)CC2.
What is the InChIKey of 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is YZEILGQSGSKWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,11-6-4-3-5-7-11)14-18-17-13-9-8-12(16)10-19(13)14/h3-7,12H,8-10,16H2,1-2H3.
What are the key properties of 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 256.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 116532748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).