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

C8H16N4 — CID 162354679

IUPAC4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine
SMILESCN1C=NN(C2CCNCC2)C1
InChIInChI=1S/C8H16N4/c1-11-6-10-12(7-11)8-2-4-9-5-3-8/h6,8-9H,2-5,7H2,1H3
InChIKeyBFYQCSKDVNEITB-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.11
Rot. Bonds1

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

4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine (PubChem CID 162354679) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine.

Molecular Properties

Compound Name4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine
PubChem CID162354679
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine
SMILESCN1C=NN(C2CCNCC2)C1
InChIInChI=1S/C8H16N4/c1-11-6-10-12(7-11)8-2-4-9-5-3-8/h6,8-9H,2-5,7H2,1H3
InChIKeyBFYQCSKDVNEITB-UHFFFAOYSA-N
XLogP-0.11
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine?
The IUPAC name of 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine (CID 162354679) is 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine.
What is the SMILES notation for 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine?
The canonical SMILES for 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine is CN1C=NN(C2CCNCC2)C1.
What is the InChIKey of 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine?
The InChIKey is BFYQCSKDVNEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-11-6-10-12(7-11)8-2-4-9-5-3-8/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine?
4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine has a molecular weight of 168.24 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3H-1,2,4-triazol-2-yl)piperidine is sourced from PubChem (CID 162354679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).