4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine

C16H20N8 — CID 70749239

IUPAC4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
SMILESCn1cnnc1CC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H20N8/c1-22-12-17-18-15(22)11-13-7-9-23(10-8-13)16-19-20-21-24(16)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyMFUNRINEPJPDBD-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.25
Rot. Bonds4

About 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine

4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine (PubChem CID 70749239) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
PubChem CID70749239
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
SMILESCn1cnnc1CC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H20N8/c1-22-12-17-18-15(22)11-13-7-9-23(10-8-13)16-19-20-21-24(16)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyMFUNRINEPJPDBD-UHFFFAOYSA-N
XLogP1.25
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
4-ethyl-3-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56876864
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877
3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one
CID 154868718
aniline;3-(cyclopentylmethyl)-4-methyl-1,2,4-triazole
CID 178119274
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 62627608
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28955111
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 136580193
3-methyl-7-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]triazolo[4,5-d]pyrimidine
CID 167852100

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine?
The IUPAC name of 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine (CID 70749239) is 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine.
What is the SMILES notation for 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine?
The canonical SMILES for 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine is Cn1cnnc1CC1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine?
The InChIKey is MFUNRINEPJPDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-22-12-17-18-15(22)11-13-7-9-23(10-8-13)16-19-20-21-24(16)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3.
What are the key properties of 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine?
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine has a molecular weight of 324.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine is sourced from PubChem (CID 70749239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).