6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine

C10H15N5 — CID 155453943

IUPAC6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine
SMILESCC(C)n1cnnc1C1=NC(N)CC=C1
InChIInChI=1S/C10H15N5/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h3-4,6-7,9H,5,11H2,1-2H3
InChIKeyXBUAZQKQVUABRP-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.89
Rot. Bonds2

About 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine

6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine (PubChem CID 155453943) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine
PubChem CID155453943
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine
SMILESCC(C)n1cnnc1C1=NC(N)CC=C1
InChIInChI=1S/C10H15N5/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h3-4,6-7,9H,5,11H2,1-2H3
InChIKeyXBUAZQKQVUABRP-UHFFFAOYSA-N
XLogP0.89
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine?
The IUPAC name of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine (CID 155453943) is 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine?
The canonical SMILES for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine is CC(C)n1cnnc1C1=NC(N)CC=C1.
What is the InChIKey of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine?
The InChIKey is XBUAZQKQVUABRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h3-4,6-7,9H,5,11H2,1-2H3.
What are the key properties of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine?
6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine has a molecular weight of 205.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 155453943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).