5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride

C16H23ClN4O2 — CID 163341217

IUPAC5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride
SMILESCOCc1nc(-c2ccc(OCC3CCCN3)cc2)nn1C.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-20-15(11-21-2)18-16(19-20)12-5-7-14(8-6-12)22-10-13-4-3-9-17-13;/h5-8,13,17H,3-4,9-11H2,1-2H3;1H
InChIKeyXDJIXFSBPXUDSQ-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.18
Rot. Bonds6

About 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride

5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride (PubChem CID 163341217) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride
PubChem CID163341217
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride
SMILESCOCc1nc(-c2ccc(OCC3CCCN3)cc2)nn1C.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-20-15(11-21-2)18-16(19-20)12-5-7-14(8-6-12)22-10-13-4-3-9-17-13;/h5-8,13,17H,3-4,9-11H2,1-2H3;1H
InChIKeyXDJIXFSBPXUDSQ-UHFFFAOYSA-N
XLogP2.18
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998970
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazole
CID 157016083
2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 63985573
(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 102820162
5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride
CID 141172529
hydron;(2R)-2-[[4-[(4-iodophenyl)methyl]phenoxy]methyl]pyrrolidine;chloride
CID 69001652
2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
CID 157019727
5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 157011768
4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998972
1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
CID 68998757

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride?
The IUPAC name of 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride (CID 163341217) is 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride?
The canonical SMILES for 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride is COCc1nc(-c2ccc(OCC3CCCN3)cc2)nn1C.Cl.
What is the InChIKey of 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride?
The InChIKey is XDJIXFSBPXUDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-20-15(11-21-2)18-16(19-20)12-5-7-14(8-6-12)22-10-13-4-3-9-17-13;/h5-8,13,17H,3-4,9-11H2,1-2H3;1H.
What are the key properties of 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride?
5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 163341217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).