6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine

C19H19N5O — CID 53353808

IUPAC6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cccc(N3CCOCC3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H19N5O/c20-19-21-17(14-5-2-1-3-6-14)18(22-23-19)15-7-4-8-16(13-15)24-9-11-25-12-10-24/h1-8,13H,9-12H2,(H2,20,21,23)
InChIKeyVNJLZTJFHQKFLC-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.62
Rot. Bonds3

About 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine

6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53353808) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53353808
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cccc(N3CCOCC3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H19N5O/c20-19-21-17(14-5-2-1-3-6-14)18(22-23-19)15-7-4-8-16(13-15)24-9-11-25-12-10-24/h1-8,13H,9-12H2,(H2,20,21,23)
InChIKeyVNJLZTJFHQKFLC-UHFFFAOYSA-N
XLogP2.62
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 141442695
2,2,2-trifluoro-N-[2-(3-morpholin-4-ylphenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 89261147
4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine
CID 168665169
N,5-difluoro-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 172590955
5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine
CID 67364048
[3-(3-amino-5-phenyl-1,2,4-triazin-6-yl)phenyl]methanesulfinic acid
CID 174665322
7-morpholin-4-yl-4-phenyl-1-propan-2-ylquinazolin-2-one
CID 154096820
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
azanylidyneazanium;4-phenylmorpholine;tetrafluoroborate
CID 88684350
3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
CID 28720299

Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine (CID 53353808) is 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2cccc(N3CCOCC3)c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is VNJLZTJFHQKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-19-21-17(14-5-2-1-3-6-14)18(22-23-19)15-7-4-8-16(13-15)24-9-11-25-12-10-24/h1-8,13H,9-12H2,(H2,20,21,23).
What are the key properties of 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 333.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylphenyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).