3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol

C15H22N4O2 — CID 66268557

IUPAC3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCOCc1cccc(CNCc2cn(CCCO)nn2)c1
InChIInChI=1S/C15H22N4O2/c1-21-12-14-5-2-4-13(8-14)9-16-10-15-11-19(18-17-15)6-3-7-20/h2,4-5,8,11,16,20H,3,6-7,9-10,12H2,1H3
InChIKeyRSYRVYPVBAVUPZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.10
Rot. Bonds9

About 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268557) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66268557
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCOCc1cccc(CNCc2cn(CCCO)nn2)c1
InChIInChI=1S/C15H22N4O2/c1-21-12-14-5-2-4-13(8-14)9-16-10-15-11-19(18-17-15)6-3-7-20/h2,4-5,8,11,16,20H,3,6-7,9-10,12H2,1H3
InChIKeyRSYRVYPVBAVUPZ-UHFFFAOYSA-N
XLogP1.10
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269485
3-[[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]methyl]benzonitrile
CID 66268935
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103398948
3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268156
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
3-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268569
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol (CID 66268557) is 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol is COCc1cccc(CNCc2cn(CCCO)nn2)c1.
What is the InChIKey of 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is RSYRVYPVBAVUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-12-14-5-2-4-13(8-14)9-16-10-15-11-19(18-17-15)6-3-7-20/h2,4-5,8,11,16,20H,3,6-7,9-10,12H2,1H3.
What are the key properties of 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 290.37 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).