3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride

C9H18Cl2N4 — CID 50988337

IUPAC3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
SMILESCCn1cnnc1C1CCCNC1.Cl.Cl
InChIInChI=1S/C9H16N4.2ClH/c1-2-13-7-11-12-9(13)8-4-3-5-10-6-8;;/h7-8,10H,2-6H2,1H3;2*1H
InChIKeyIEVFAKCYSXGOTI-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.61
Rot. Bonds2

About 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride

3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride (PubChem CID 50988337) has the molecular formula C9H18Cl2N4 and a molecular weight of 253.18 g/mol. Its IUPAC name is 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
PubChem CID50988337
Molecular FormulaC9H18Cl2N4
Molecular Weight253.18 g/mol
Exact Mass252.09
IUPAC Name3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
SMILESCCn1cnnc1C1CCCNC1.Cl.Cl
InChIInChI=1S/C9H16N4.2ClH/c1-2-13-7-11-12-9(13)8-4-3-5-10-6-8;;/h7-8,10H,2-6H2,1H3;2*1H
InChIKeyIEVFAKCYSXGOTI-UHFFFAOYSA-N
XLogP1.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
(3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
CID 97195843
3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
CID 72877858
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
(3S)-3-(1-ethylpyrrol-2-yl)piperidine
CID 125425376
(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 95111280

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride (CID 50988337) is 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride.
What is the SMILES notation for 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The canonical SMILES for 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride is CCn1cnnc1C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The InChIKey is IEVFAKCYSXGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.2ClH/c1-2-13-7-11-12-9(13)8-4-3-5-10-6-8;;/h7-8,10H,2-6H2,1H3;2*1H.
What are the key properties of 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride has a molecular weight of 253.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride is sourced from PubChem (CID 50988337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).