1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine

C9H18N6 — CID 146312948

IUPAC1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2nc(N)n(C)n2)CC1
InChIInChI=1S/C9H18N6/c1-11-7-3-5-15(6-4-7)9-12-8(10)14(2)13-9/h7,11H,3-6H2,1-2H3,(H2,10,12,13)
InChIKeyIEAVTTNXUBEAPT-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.41
Rot. Bonds2

About 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine

1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine (PubChem CID 146312948) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine
PubChem CID146312948
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2nc(N)n(C)n2)CC1
InChIInChI=1S/C9H18N6/c1-11-7-3-5-15(6-4-7)9-12-8(10)14(2)13-9/h7,11H,3-6H2,1-2H3,(H2,10,12,13)
InChIKeyIEAVTTNXUBEAPT-UHFFFAOYSA-N
XLogP-0.41
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-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-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine (CID 146312948) is 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine is CNC1CCN(c2nc(N)n(C)n2)CC1.
What is the InChIKey of 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine?
The InChIKey is IEAVTTNXUBEAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-11-7-3-5-15(6-4-7)9-12-8(10)14(2)13-9/h7,11H,3-6H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine?
1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine has a molecular weight of 210.28 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 146312948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).