4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine

C14H20N10S — CID 70738297

IUPAC4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESCn1nnnc1SCCn1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H20N10S/c1-22-14(18-19-21-22)25-9-8-23-7-6-16-13(23)12-10-24(20-17-12)11-2-4-15-5-3-11/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeyIGKGIJLQCBNRPR-UHFFFAOYSA-N
MW360.45 g/mol
LogP0.38
Rot. Bonds6

About 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine

4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine (PubChem CID 70738297) has the molecular formula C14H20N10S and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine
PubChem CID70738297
Molecular FormulaC14H20N10S
Molecular Weight360.45 g/mol
Exact Mass360.16
IUPAC Name4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESCn1nnnc1SCCn1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H20N10S/c1-22-14(18-19-21-22)25-9-8-23-7-6-16-13(23)12-10-24(20-17-12)11-2-4-15-5-3-11/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeyIGKGIJLQCBNRPR-UHFFFAOYSA-N
XLogP0.38
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

5-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine
CID 72849825
5-{3-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]propyl}-1,3,4-thiadiazol-2-amine
CID 72862499
1-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-4-(1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72878477
N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yl-1H-1,2,3-triazol-4-yl)-1H-imidazol-1-yl]propan-1-amine
CID 70757231
4-(4-{1-[1-(1H-tetrazol-5-yl)ethyl]-1H-imidazol-2-yl}-1H-1,2,3-triazol-1-yl)piperidine hydrochloride
CID 70773810
4-(4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}-1H-1,2,3-triazol-1-yl)piperidine
CID 70776889
1-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}-1H,1'H-2,4'-biimidazole
CID 56881038
2-(2H-tetrazol-5-yl)-5-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 135625404
2-(2H-tetrazol-5-yl)-7-(2H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 135625410
7-ethyl-2-(2H-tetrazol-5-yl)-5-[2-(2H-tetrazol-5-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136456873
3-({2-[1-(4-piperidinyl)-1H-1,2,3-triazol-4-yl]-1H-imidazol-1-yl}methyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole dihydrochloride
CID 70708497
4-(4-{1-[2-(ethylthio)ethyl]-1H-imidazol-2-yl}-1H-1,2,3-triazol-1-yl)piperidine
CID 70713600

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The IUPAC name of 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine (CID 70738297) is 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine is Cn1nnnc1SCCn1ccnc1-c1cn(C2CCNCC2)nn1.
What is the InChIKey of 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The InChIKey is IGKGIJLQCBNRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N10S/c1-22-14(18-19-21-22)25-9-8-23-7-6-16-13(23)12-10-24(20-17-12)11-2-4-15-5-3-11/h6-7,10-11,15H,2-5,8-9H2,1H3.
What are the key properties of 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine?
4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine has a molecular weight of 360.45 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[2-(1-methyltetrazol-5-yl)sulfanylethyl]imidazol-2-yl]triazol-1-yl]piperidine is sourced from PubChem (CID 70738297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).