4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine

C13H13ClN4O — CID 175431223

IUPAC4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine
SMILESClc1ncnc(-c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C13H13ClN4O/c14-13-16-9-15-12(17-13)10-1-3-11(4-2-10)18-5-7-19-8-6-18/h1-4,9H,5-8H2
InChIKeyLPSFMMHIHRJYHD-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.03
Rot. Bonds2

About 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine

4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine (PubChem CID 175431223) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine
PubChem CID175431223
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine
SMILESClc1ncnc(-c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C13H13ClN4O/c14-13-16-9-15-12(17-13)10-1-3-11(4-2-10)18-5-7-19-8-6-18/h1-4,9H,5-8H2
InChIKeyLPSFMMHIHRJYHD-UHFFFAOYSA-N
XLogP2.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(4-methylphenyl)-1,3,5-triazine
CID 130058312
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
CID 863212
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
CID 648488
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine
CID 170626595
3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 154784421

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine (CID 175431223) is 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine is Clc1ncnc(-c2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine?
The InChIKey is LPSFMMHIHRJYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-13-16-9-15-12(17-13)10-1-3-11(4-2-10)18-5-7-19-8-6-18/h1-4,9H,5-8H2.
What are the key properties of 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine?
4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine has a molecular weight of 276.73 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-1,3,5-triazin-2-yl)phenyl]morpholine is sourced from PubChem (CID 175431223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).