(3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine

C8H15N5 — CID 90290397

IUPAC(3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine
SMILESC[C@H]1CNC[C@@H](N)[C@H]1n1ccnn1
InChIInChI=1S/C8H15N5/c1-6-4-10-5-7(9)8(6)13-3-2-11-12-13/h2-3,6-8,10H,4-5,9H2,1H3/t6-,7+,8-/m0/s1
InChIKeyHZHRHFDHYSNTCO-RNJXMRFFSA-N
MW181.24 g/mol
LogP-0.61
Rot. Bonds1

About (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine

(3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine (PubChem CID 90290397) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine
PubChem CID90290397
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name(3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine
SMILESC[C@H]1CNC[C@@H](N)[C@H]1n1ccnn1
InChIInChI=1S/C8H15N5/c1-6-4-10-5-7(9)8(6)13-3-2-11-12-13/h2-3,6-8,10H,4-5,9H2,1H3/t6-,7+,8-/m0/s1
InChIKeyHZHRHFDHYSNTCO-RNJXMRFFSA-N
XLogP-0.61
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-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 (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine?
The IUPAC name of (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine (CID 90290397) is (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine.
What is the SMILES notation for (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine?
The canonical SMILES for (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine is C[C@H]1CNC[C@@H](N)[C@H]1n1ccnn1.
What is the InChIKey of (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine?
The InChIKey is HZHRHFDHYSNTCO-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H15N5/c1-6-4-10-5-7(9)8(6)13-3-2-11-12-13/h2-3,6-8,10H,4-5,9H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine?
(3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine has a molecular weight of 181.24 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine is sourced from PubChem (CID 90290397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).