1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine

C17H23Cl2N5O — CID 76684475

IUPAC1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine
SMILESCCCN(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C17H23Cl2N5O/c1-2-5-23(7-6-22-8-10-25-11-9-22)17-13-24(21-20-17)14-3-4-15(18)16(19)12-14/h3-4,12-13H,2,5-11H2,1H3
InChIKeySHXHJOFONTYLEF-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.12
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine

1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine (PubChem CID 76684475) has the molecular formula C17H23Cl2N5O and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine
PubChem CID76684475
Molecular FormulaC17H23Cl2N5O
Molecular Weight384.31 g/mol
Exact Mass383.13
IUPAC Name1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine
SMILESCCCN(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C17H23Cl2N5O/c1-2-5-23(7-6-22-8-10-25-11-9-22)17-13-24(21-20-17)14-3-4-15(18)16(19)12-14/h3-4,12-13H,2,5-11H2,1H3
InChIKeySHXHJOFONTYLEF-UHFFFAOYSA-N
XLogP3.12
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-pyrazol-3-amine
CID 24743568
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76073628
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683773
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76683982
1-[4-[2-[[1-(3,4-Dichlorophenyl)triazol-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 76684304
N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 76684383
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684477
1-(1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)-1-(2-morpholinoethyl)-3-propylthiourea
CID 76684479
4-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-morpholine
CID 3165813
N-(1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(2-morpholinoethyl)methanesulfonamide
CID 76684473
1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684212
1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 144663317

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine (CID 76684475) is 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine is CCCN(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine?
The InChIKey is SHXHJOFONTYLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N5O/c1-2-5-23(7-6-22-8-10-25-11-9-22)17-13-24(21-20-17)14-3-4-15(18)16(19)12-14/h3-4,12-13H,2,5-11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine?
1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine has a molecular weight of 384.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)-N-propyltriazol-4-amine is sourced from PubChem (CID 76684475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).