3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine

C8H12N4 — CID 141119214

IUPAC3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine
SMILESC(=C1CCCNC1)c1ncn[nH]1
InChIInChI=1S/C8H12N4/c1-2-7(5-9-3-1)4-8-10-6-11-12-8/h4,6,9H,1-3,5H2,(H,10,11,12)
InChIKeyIONZAYZEJOVGRV-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.57
Rot. Bonds1

About 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine

3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine (PubChem CID 141119214) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine
PubChem CID141119214
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine
SMILESC(=C1CCCNC1)c1ncn[nH]1
InChIInChI=1S/C8H12N4/c1-2-7(5-9-3-1)4-8-10-6-11-12-8/h4,6,9H,1-3,5H2,(H,10,11,12)
InChIKeyIONZAYZEJOVGRV-UHFFFAOYSA-N
XLogP0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorocyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-5-yl]piperidine
CID 123796357
3-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)-4H-azepine
CID 89468108
2-(1H-1,2,4-triazol-5-ylmethylidene)piperidine;dihydrochloride
CID 141119209
3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine;dihydrochloride
CID 141119213
4-[(E,2R,3S)-4-chloro-3-methyl-5-(1H-1,2,4-triazol-5-yl)pent-4-en-2-yl]piperidine
CID 163494872
1-methyl-4-(1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
CID 166085142
4-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 173108270
5,6,7,10-tetrahydro-1H-[1,2,4]triazolo[3,4-a]isoquinolin-4-ium
CID 173179357
1-Methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 10909896
1-(3-methylbut-2-enyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine
CID 54885122
1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978759
N-(cyclohex-3-en-1-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517797

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine?
The IUPAC name of 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine (CID 141119214) is 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine is C(=C1CCCNC1)c1ncn[nH]1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine?
The InChIKey is IONZAYZEJOVGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-7(5-9-3-1)4-8-10-6-11-12-8/h4,6,9H,1-3,5H2,(H,10,11,12).
What are the key properties of 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine?
3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine has a molecular weight of 164.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-ylmethylidene)piperidine is sourced from PubChem (CID 141119214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).