4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine

C19H22N4O — CID 70764511

IUPAC4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine
SMILESc1ccc2cc(-c3cn(CCCN4CCOCC4)nn3)ccc2c1
InChIInChI=1S/C19H22N4O/c1-2-5-17-14-18(7-6-16(17)4-1)19-15-23(21-20-19)9-3-8-22-10-12-24-13-11-22/h1-2,4-7,14-15H,3,8-13H2
InChIKeyBCWLAYCJBREFPG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.82
Rot. Bonds5

About 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine

4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine (PubChem CID 70764511) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine
PubChem CID70764511
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine
SMILESc1ccc2cc(-c3cn(CCCN4CCOCC4)nn3)ccc2c1
InChIInChI=1S/C19H22N4O/c1-2-5-17-14-18(7-6-16(17)4-1)19-15-23(21-20-19)9-3-8-22-10-12-24-13-11-22/h1-2,4-7,14-15H,3,8-13H2
InChIKeyBCWLAYCJBREFPG-UHFFFAOYSA-N
XLogP2.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine (CID 70764511) is 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine is c1ccc2cc(-c3cn(CCCN4CCOCC4)nn3)ccc2c1.
What is the InChIKey of 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine?
The InChIKey is BCWLAYCJBREFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-5-17-14-18(7-6-16(17)4-1)19-15-23(21-20-19)9-3-8-22-10-12-24-13-11-22/h1-2,4-7,14-15H,3,8-13H2.
What are the key properties of 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine?
4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine has a molecular weight of 322.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-naphthalen-2-yltriazol-1-yl)propyl]morpholine is sourced from PubChem (CID 70764511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).