2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine

C14H16Cl2N4O — CID 135106958

IUPAC2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n(C)n1
InChIInChI=1S/C14H16Cl2N4O/c1-9-17-14(19(2)18-9)20-5-6-21-13(8-20)10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyANLXISUDFOLXKD-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.01
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine

2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 135106958) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID135106958
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n(C)n1
InChIInChI=1S/C14H16Cl2N4O/c1-9-17-14(19(2)18-9)20-5-6-21-13(8-20)10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyANLXISUDFOLXKD-UHFFFAOYSA-N
XLogP3.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782
2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 56874837
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
CID 56868196
ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
CID 95560858
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
2-(3,4-dichlorophenyl)-4-(3-methoxypyrazin-2-yl)morpholine
CID 56871103
(2R)-2-(3,4-dichlorophenyl)-4-(3-fluoro-4-pyridinyl)morpholine
CID 95562855
2-(3-chloro-4-fluorophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469954
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine (CID 135106958) is 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine is Cc1nc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n(C)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is ANLXISUDFOLXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-9-17-14(19(2)18-9)20-5-6-21-13(8-20)10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine?
2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 327.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 135106958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).