4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine

C20H21ClN4O2 — CID 121499119

IUPAC4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
SMILESCn1nc(-c2ccccc2OCc2ccccc2Cl)nc1N1CCOCC1
InChIInChI=1S/C20H21ClN4O2/c1-24-20(25-10-12-26-13-11-25)22-19(23-24)16-7-3-5-9-18(16)27-14-15-6-2-4-8-17(15)21/h2-9H,10-14H2,1H3
InChIKeyNJULQQUARFLTPQ-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.55
Rot. Bonds5

About 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine

4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine (PubChem CID 121499119) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
PubChem CID121499119
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
SMILESCn1nc(-c2ccccc2OCc2ccccc2Cl)nc1N1CCOCC1
InChIInChI=1S/C20H21ClN4O2/c1-24-20(25-10-12-26-13-11-25)22-19(23-24)16-7-3-5-9-18(16)27-14-15-6-2-4-8-17(15)21/h2-9H,10-14H2,1H3
InChIKeyNJULQQUARFLTPQ-UHFFFAOYSA-N
XLogP3.55
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121498404
N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 155914199
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 72842375
[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 3909592
tert-butyl N-[(E)-2-[[3-chloro-4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-enyl]-N-methylcarbamate
CID 146512204
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417
[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 126378097
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 1401959
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727900
[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-morpholin-4-ylmethanethione
CID 5216829
4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine
CID 170311913

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine (CID 121499119) is 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine is Cn1nc(-c2ccccc2OCc2ccccc2Cl)nc1N1CCOCC1.
What is the InChIKey of 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine?
The InChIKey is NJULQQUARFLTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-24-20(25-10-12-26-13-11-25)22-19(23-24)16-7-3-5-9-18(16)27-14-15-6-2-4-8-17(15)21/h2-9H,10-14H2,1H3.
What are the key properties of 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine?
4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine has a molecular weight of 384.87 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 121499119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).