2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride

C9H18Cl2N4 — CID 154883622

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
SMILESCc1nnc(C2CCCCN2)n1C.Cl.Cl
InChIInChI=1S/C9H16N4.2ClH/c1-7-11-12-9(13(7)2)8-5-3-4-6-10-8;;/h8,10H,3-6H2,1-2H3;2*1H
InChIKeyURTPEQKULKIBGY-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.78
Rot. Bonds1

About 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride

2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride (PubChem CID 154883622) has the molecular formula C9H18Cl2N4 and a molecular weight of 253.18 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
PubChem CID154883622
Molecular FormulaC9H18Cl2N4
Molecular Weight253.18 g/mol
Exact Mass252.09
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
SMILESCc1nnc(C2CCCCN2)n1C.Cl.Cl
InChIInChI=1S/C9H16N4.2ClH/c1-7-11-12-9(13(7)2)8-5-3-4-6-10-8;;/h8,10H,3-6H2,1-2H3;2*1H
InChIKeyURTPEQKULKIBGY-UHFFFAOYSA-N
XLogP1.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915216
(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915219
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)azepane
CID 64561912
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
CID 112597261
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)azepane
CID 64562107
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
CID 155895364
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
3-(4-methoxypyrrolidin-2-yl)-4,5-dimethyl-1,2,4-triazole
CID 61351797
6-methyl-3-piperidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117148558
3-(azocan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 114239810

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride (CID 154883622) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride is Cc1nnc(C2CCCCN2)n1C.Cl.Cl.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The InChIKey is URTPEQKULKIBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.2ClH/c1-7-11-12-9(13(7)2)8-5-3-4-6-10-8;;/h8,10H,3-6H2,1-2H3;2*1H.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride has a molecular weight of 253.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride is sourced from PubChem (CID 154883622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).