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

C7H12N4 — CID 45088326

IUPAC4-(1,2,4-triazol-4-yl)piperidine
SMILESc1nncn1C1CCNCC1
InChIInChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-5-9-10-6-11/h5-8H,1-4H2
InChIKeyOQHDZWPNEOFLCW-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.20
Rot. Bonds1

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

4-(1,2,4-triazol-4-yl)piperidine (PubChem CID 45088326) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(1,2,4-triazol-4-yl)piperidine
PubChem CID45088326
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-(1,2,4-triazol-4-yl)piperidine
SMILESc1nncn1C1CCNCC1
InChIInChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-5-9-10-6-11/h5-8H,1-4H2
InChIKeyOQHDZWPNEOFLCW-UHFFFAOYSA-N
XLogP0.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-1,2,4-triazol-1-yl)piperidine
CID 19005989
4-(1H-1,2,4-Triazol-1-yl)piperidine
CID 23532625
4-(1H-Tetrazol-1-yl)piperidine
CID 40152191
4-(1H-1,2,3,4-tetrazol-1-yl)piperidine hydrochloride
CID 53406769
2-(1H-1,2,4-triazol-1-ylmethyl)piperidine
CID 54592631
4-(4H-1,2,4-Triazol-4-yl)piperidine dihydrochloride
CID 75531027
1-(1H-1,2,4-triazol-3-yl)piperidin-4-amine dihydrochloride
CID 137966091
(1R,5S,6R)-6-(4H-1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexane
CID 118222920
1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine
CID 102794118
3-Fluoro-1-methyl-4-(1,2,4-triazol-4-yl)piperidine
CID 124187552
3-Fluoro-4-(1,2,4-triazol-4-yl)piperidine
CID 124189140
3-(4H-1,2,4-triazol-4-yl)cyclobutan-1-amine
CID 62268416

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 4-(1,2,4-triazol-4-yl)piperidine (CID 45088326) is 4-(1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 4-(1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 4-(1,2,4-triazol-4-yl)piperidine is c1nncn1C1CCNCC1.
What is the InChIKey of 4-(1,2,4-triazol-4-yl)piperidine?
The InChIKey is OQHDZWPNEOFLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-5-9-10-6-11/h5-8H,1-4H2.
What are the key properties of 4-(1,2,4-triazol-4-yl)piperidine?
4-(1,2,4-triazol-4-yl)piperidine has a molecular weight of 152.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 45088326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).