2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone

C11H19N5O — CID 62935640

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C11H19N5O/c1-11(2)3-5-15(6-4-11)9(17)7-16-8-13-10(12)14-16/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyHPCHVZUIKQYBEO-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.51
Rot. Bonds2

About 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone

2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone (PubChem CID 62935640) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
PubChem CID62935640
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C11H19N5O/c1-11(2)3-5-15(6-4-11)9(17)7-16-8-13-10(12)14-16/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyHPCHVZUIKQYBEO-UHFFFAOYSA-N
XLogP0.51
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone 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 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone (CID 62935640) is 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone is CC1(C)CCN(C(=O)Cn2cnc(N)n2)CC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The InChIKey is HPCHVZUIKQYBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2)3-5-15(6-4-11)9(17)7-16-8-13-10(12)14-16/h8H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone has a molecular weight of 237.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-1-(4,4-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62935640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).