1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

C14H23N7 — CID 102810405

IUPAC1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCCc1nn(C)cc1-c1nc(N2CCCC(N)C2C)n[nH]1
InChIInChI=1S/C14H23N7/c1-4-12-10(8-20(3)19-12)13-16-14(18-17-13)21-7-5-6-11(15)9(21)2/h8-9,11H,4-7,15H2,1-3H3,(H,16,17,18)
InChIKeyAUAGXLUXNZKHNG-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.08
Rot. Bonds3

About 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (PubChem CID 102810405) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
PubChem CID102810405
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCCc1nn(C)cc1-c1nc(N2CCCC(N)C2C)n[nH]1
InChIInChI=1S/C14H23N7/c1-4-12-10(8-20(3)19-12)13-16-14(18-17-13)21-7-5-6-11(15)9(21)2/h8-9,11H,4-7,15H2,1-3H3,(H,16,17,18)
InChIKeyAUAGXLUXNZKHNG-UHFFFAOYSA-N
XLogP1.08
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-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 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (CID 102810405) is 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The canonical SMILES for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is CCc1nn(C)cc1-c1nc(N2CCCC(N)C2C)n[nH]1.
What is the InChIKey of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The InChIKey is AUAGXLUXNZKHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-4-12-10(8-20(3)19-12)13-16-14(18-17-13)21-7-5-6-11(15)9(21)2/h8-9,11H,4-7,15H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine has a molecular weight of 289.39 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is sourced from PubChem (CID 102810405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).