2-(4-methyl-1,2,4-triazol-3-yl)piperidine

C8H14N4 — CID 62406028

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCCCN1
InChIInChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-4-2-3-5-9-7/h6-7,9H,2-5H2,1H3
InChIKeyYLICHTZAMDDIIM-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.63
Rot. Bonds1

About 2-(4-methyl-1,2,4-triazol-3-yl)piperidine

2-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 62406028) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID62406028
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCCCN1
InChIInChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-4-2-3-5-9-7/h6-7,9H,2-5H2,1H3
InChIKeyYLICHTZAMDDIIM-UHFFFAOYSA-N
XLogP0.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646
(2R)-2-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 104915223
2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 62406030
4-(2-methoxyethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole
CID 94554648
(3S,5S)-5-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
CID 104912639
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
4-(2-methylphenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82473887
3-[(2S,4S)-4-methoxypyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 94552501
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
CID 112597261
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 62406028) is 2-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1C1CCCCN1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is YLICHTZAMDDIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-4-2-3-5-9-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
2-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 62406028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).