1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole

C20H21N3O2 — CID 72703278

IUPAC1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole
SMILESCOc1ccc(COc2ccc(C(C3CC3)n3cncn3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-18-8-2-15(3-9-18)12-25-19-10-6-17(7-11-19)20(16-4-5-16)23-14-21-13-22-23/h2-3,6-11,13-14,16,20H,4-5,12H2,1H3
InChIKeyNWFDTEFHXUYRJZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.87
Rot. Bonds7

About 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole

1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole (PubChem CID 72703278) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole
PubChem CID72703278
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole
SMILESCOc1ccc(COc2ccc(C(C3CC3)n3cncn3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-18-8-2-15(3-9-18)12-25-19-10-6-17(7-11-19)20(16-4-5-16)23-14-21-13-22-23/h2-3,6-11,13-14,16,20H,4-5,12H2,1H3
InChIKeyNWFDTEFHXUYRJZ-UHFFFAOYSA-N
XLogP3.87
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[cyclopropyl-(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole
CID 72705832
cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 6482546
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950233
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
CID 175815577
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
6-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703019
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-1-propan-2-ylimidazole
CID 15749941
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole (CID 72703278) is 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole is COc1ccc(COc2ccc(C(C3CC3)n3cncn3)cc2)cc1.
What is the InChIKey of 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole?
The InChIKey is NWFDTEFHXUYRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-18-8-2-15(3-9-18)12-25-19-10-6-17(7-11-19)20(16-4-5-16)23-14-21-13-22-23/h2-3,6-11,13-14,16,20H,4-5,12H2,1H3.
What are the key properties of 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole?
1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole has a molecular weight of 335.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole is sourced from PubChem (CID 72703278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).