N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine

C20H19N5O — CID 66710560

IUPACN-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
SMILESc1ccc2c(c1)cc1cnc(Nc3ccc(N4CCOCC4)cc3)nn12
InChIInChI=1S/C20H19N5O/c1-2-4-19-15(3-1)13-18-14-21-20(23-25(18)19)22-16-5-7-17(8-6-16)24-9-11-26-12-10-24/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyQEIVANSRSROKMF-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.46
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine

N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine (PubChem CID 66710560) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
PubChem CID66710560
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
SMILESc1ccc2c(c1)cc1cnc(Nc3ccc(N4CCOCC4)cc3)nn12
InChIInChI=1S/C20H19N5O/c1-2-4-19-15(3-1)13-18-14-21-20(23-25(18)19)22-16-5-7-17(8-6-16)24-9-11-26-12-10-24/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyQEIVANSRSROKMF-UHFFFAOYSA-N
XLogP3.46
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-(3-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710786
2-methyl-N-[2-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]propane-2-sulfonamide
CID 66711902
2-[2-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenoxy]acetonitrile
CID 66712286
N-[3-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]ethanesulfonamide
CID 91250392
4-morpholin-4-yl-N-phenylaniline
CID 159018746
N-cyclopropyl-3-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 66711965
7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57399415
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 46220497
7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712724
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
7-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 67424857
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine (CID 66710560) is N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine is c1ccc2c(c1)cc1cnc(Nc3ccc(N4CCOCC4)cc3)nn12.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine?
The InChIKey is QEIVANSRSROKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-4-19-15(3-1)13-18-14-21-20(23-25(18)19)22-16-5-7-17(8-6-16)24-9-11-26-12-10-24/h1-8,13-14H,9-12H2,(H,22,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine?
N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine has a molecular weight of 345.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine is sourced from PubChem (CID 66710560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).