4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride

C9H17ClN4 — CID 154582392

IUPAC4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride
SMILESCc1nn(C2CCNCC2)nc1C.Cl
InChIInChI=1S/C9H16N4.ClH/c1-7-8(2)12-13(11-7)9-3-5-10-6-4-9;/h9-10H,3-6H2,1-2H3;1H
InChIKeyBMXZMIFASYRWNT-UHFFFAOYSA-N
MW216.72 g/mol
LogP1.24
Rot. Bonds1

About 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride

4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride (PubChem CID 154582392) has the molecular formula C9H17ClN4 and a molecular weight of 216.72 g/mol. Its IUPAC name is 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride
PubChem CID154582392
Molecular FormulaC9H17ClN4
Molecular Weight216.72 g/mol
Exact Mass216.11
IUPAC Name4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride
SMILESCc1nn(C2CCNCC2)nc1C.Cl
InChIInChI=1S/C9H16N4.ClH/c1-7-8(2)12-13(11-7)9-3-5-10-6-4-9;/h9-10H,3-6H2,1-2H3;1H
InChIKeyBMXZMIFASYRWNT-UHFFFAOYSA-N
XLogP1.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4,5-trimethylpyrazol-1-yl)piperidine
CID 61346158
4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 172561235
4-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 131883405
ethane;4-imidazol-1-ylpiperidine
CID 143122198
4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine
CID 83671733
3,4-dimethyl-1-piperidin-4-ylindazole
CID 84692853
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
CID 75530864
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
7-bromo-3-methyl-1-piperidin-4-ylindazole
CID 84815234
ethane;4-(4-ethyl-5-methylpyrazol-1-yl)piperidine
CID 171660480
3,3-dimethyl-1-piperidin-4-ylazetidin-2-one
CID 139026299

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride?
The IUPAC name of 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride (CID 154582392) is 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride is Cc1nn(C2CCNCC2)nc1C.Cl.
What is the InChIKey of 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride?
The InChIKey is BMXZMIFASYRWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.ClH/c1-7-8(2)12-13(11-7)9-3-5-10-6-4-9;/h9-10H,3-6H2,1-2H3;1H.
What are the key properties of 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride?
4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride has a molecular weight of 216.72 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride is sourced from PubChem (CID 154582392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).