3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole

C15H19N3O — CID 167983659

IUPAC3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole
SMILESC[C@H]1C(COc2cccc(-c3ncn(C)n3)c2)[C@@H]1C
InChIInChI=1S/C15H19N3O/c1-10-11(2)14(10)8-19-13-6-4-5-12(7-13)15-16-9-18(3)17-15/h4-7,9-11,14H,8H2,1-3H3/t10-,11-/m1/s1
InChIKeyGOHLCLLOLWKZFT-GHMZBOCLSA-N
MW257.34 g/mol
LogP2.76
Rot. Bonds4

About 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole

3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole (PubChem CID 167983659) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole
PubChem CID167983659
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole
SMILESC[C@H]1C(COc2cccc(-c3ncn(C)n3)c2)[C@@H]1C
InChIInChI=1S/C15H19N3O/c1-10-11(2)14(10)8-19-13-6-4-5-12(7-13)15-16-9-18(3)17-15/h4-7,9-11,14H,8H2,1-3H3/t10-,11-/m1/s1
InChIKeyGOHLCLLOLWKZFT-GHMZBOCLSA-N
XLogP2.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole with MolForge

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Related Compounds

(E)-2-[[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146511993
(E)-3-fluoro-2-[[4-[5-(1-fluorocyclopropyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512237
(E)-3-fluoro-2-[[4-[5-(1-fluorocyclopropyl)-2-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512245
(E)-2-[[4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512246
(E)-2-[[4-[2-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512247
(E)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512251
(Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369024
(Z)-2-[[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369047
(Z)-3-fluoro-2-[[3-fluoro-4-[5-(1-fluorocyclopropyl)-2-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 162369082
(Z)-2-[[4-[2-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369083
(Z)-3-fluoro-2-[[4-[5-(1-fluorocyclopropyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 162369089
(Z)-2-[[4-[1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369091

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole (CID 167983659) is 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole is C[C@H]1C(COc2cccc(-c3ncn(C)n3)c2)[C@@H]1C.
What is the InChIKey of 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole?
The InChIKey is GOHLCLLOLWKZFT-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-11(2)14(10)8-19-13-6-4-5-12(7-13)15-16-9-18(3)17-15/h4-7,9-11,14H,8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole?
3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole has a molecular weight of 257.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(2R,3R)-2,3-dimethylcyclopropyl]methoxy]phenyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 167983659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).