2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride

C9H17ClN4O — CID 119032101

IUPAC2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride
SMILESCOCc1nc(C2CCCCN2)n[nH]1.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-14-6-8-11-9(13-12-8)7-4-2-3-5-10-7;/h7,10H,2-6H2,1H3,(H,11,12,13);1H
InChIKeyFOJHKFKNVLZMNZ-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.19
Rot. Bonds3

About 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride

2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride (PubChem CID 119032101) has the molecular formula C9H17ClN4O and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride
PubChem CID119032101
Molecular FormulaC9H17ClN4O
Molecular Weight232.71 g/mol
Exact Mass232.11
IUPAC Name2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride
SMILESCOCc1nc(C2CCCCN2)n[nH]1.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-14-6-8-11-9(13-12-8)7-4-2-3-5-10-7;/h7,10H,2-6H2,1H3,(H,11,12,13);1H
InChIKeyFOJHKFKNVLZMNZ-UHFFFAOYSA-N
XLogP1.19
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine
CID 71928129
N-[2-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]cyclohexanamine
CID 72122514
N-[2-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethyl]cyclohexanamine
CID 72122562
2-(3-ethyl-1H-1,2,4-triazol-5-yl)morpholine
CID 61736625
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 91662957
2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine hydrochloride
CID 137964473
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61276907
Sdccgsbi-0659047.P001
CID 82463430
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-[[(2R)-oxan-2-yl]methyl]propan-2-amine
CID 97817198
1-[5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 103206985
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 103206990
2-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 103206992

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride?
The IUPAC name of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride (CID 119032101) is 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride.
What is the SMILES notation for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride?
The canonical SMILES for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride is COCc1nc(C2CCCCN2)n[nH]1.Cl.
What is the InChIKey of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride?
The InChIKey is FOJHKFKNVLZMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.ClH/c1-14-6-8-11-9(13-12-8)7-4-2-3-5-10-7;/h7,10H,2-6H2,1H3,(H,11,12,13);1H.
What are the key properties of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride?
2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine;hydrochloride is sourced from PubChem (CID 119032101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).