2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine

C8H15N5 — CID 104915236

IUPAC2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
SMILESCn1nc([C@@H]2CCCCN2)nc1N
InChIInChI=1S/C8H15N5/c1-13-8(9)11-7(12-13)6-4-2-3-5-10-6/h6,10H,2-5H2,1H3,(H2,9,11,12)/t6-/m0/s1
InChIKeyUBPAGQLLTAULRE-LURJTMIESA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds1

About 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine

2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine (PubChem CID 104915236) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
PubChem CID104915236
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
SMILESCn1nc([C@@H]2CCCCN2)nc1N
InChIInChI=1S/C8H15N5/c1-13-8(9)11-7(12-13)6-4-2-3-5-10-6/h6,10H,2-5H2,1H3,(H2,9,11,12)/t6-/m0/s1
InChIKeyUBPAGQLLTAULRE-LURJTMIESA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylpiperidin-2-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114431944
3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62722373
2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
CID 155895364
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
5-amino-1-methyl-3-piperidin-2-ylpyrazole-4-carbonitrile
CID 83856508
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
CID 174788663
2-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392327
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine (CID 104915236) is 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine is Cn1nc([C@@H]2CCCCN2)nc1N.
What is the InChIKey of 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine?
The InChIKey is UBPAGQLLTAULRE-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N5/c1-13-8(9)11-7(12-13)6-4-2-3-5-10-6/h6,10H,2-5H2,1H3,(H2,9,11,12)/t6-/m0/s1.
What are the key properties of 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine?
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 104915236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).