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

C12H19N7 — CID 167815707

IUPAC4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine
SMILESCC1CCN(CCc2nc(-c3ncn[nH]3)n[nH]2)CC1
InChIInChI=1S/C12H19N7/c1-9-2-5-19(6-3-9)7-4-10-15-12(18-16-10)11-13-8-14-17-11/h8-9H,2-7H2,1H3,(H,13,14,17)(H,15,16,18)
InChIKeyYUEZRGBCVGAZCH-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.86
Rot. Bonds4

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

4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine (PubChem CID 167815707) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine
PubChem CID167815707
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine
SMILESCC1CCN(CCc2nc(-c3ncn[nH]3)n[nH]2)CC1
InChIInChI=1S/C12H19N7/c1-9-2-5-19(6-3-9)7-4-10-15-12(18-16-10)11-13-8-14-17-11/h8-9H,2-7H2,1H3,(H,13,14,17)(H,15,16,18)
InChIKeyYUEZRGBCVGAZCH-UHFFFAOYSA-N
XLogP0.86
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine with MolForge

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Related Compounds

(2-{4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}ethyl)amine dihydrochloride
CID 72933636
Sdccgsbi-0659127.P001
CID 53192262
4-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 53192542
1-ethyl-5-{[2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-1,2,4-triazole
CID 77090173
(3S)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 129613238
3-(1H-1,2,4-triazol-5-yl)-1-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butan-2-yl]piperidine
CID 136516291
4-methyl-3-propan-2-yl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 138025128
2-tert-butyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 138025139
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
CID 121534526
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
CID 128994923
(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
CID 129492386
(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
CID 129492387

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine (CID 167815707) is 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine is CC1CCN(CCc2nc(-c3ncn[nH]3)n[nH]2)CC1.
What is the InChIKey of 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine?
The InChIKey is YUEZRGBCVGAZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-9-2-5-19(6-3-9)7-4-10-15-12(18-16-10)11-13-8-14-17-11/h8-9H,2-7H2,1H3,(H,13,14,17)(H,15,16,18).
What are the key properties of 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine?
4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine has a molecular weight of 261.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[3-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl]piperidine is sourced from PubChem (CID 167815707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).