N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine

C17H23N5O — CID 112944290

IUPACN-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
SMILESCC(C)(C)c1ccc(Nc2cnnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H23N5O/c1-17(2,3)13-4-6-14(7-5-13)19-15-12-18-21-16(20-15)22-8-10-23-11-9-22/h4-7,12H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyADEWTKGBXGTRBQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.75
Rot. Bonds3

About N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine

N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine (PubChem CID 112944290) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
PubChem CID112944290
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
SMILESCC(C)(C)c1ccc(Nc2cnnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H23N5O/c1-17(2,3)13-4-6-14(7-5-13)19-15-12-18-21-16(20-15)22-8-10-23-11-9-22/h4-7,12H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyADEWTKGBXGTRBQ-UHFFFAOYSA-N
XLogP2.75
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide
CID 6400920
as-Triazine, 3-methoxy-5-(p-morpholinophenyl)-
CID 3053066
4-(5-Phenyl-1-propyl-1,2,4-triazin-3-yl)morpholine, iodide
CID 15209953
N-(2-morpholin-4-ylethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 44631790
N-(3-morpholin-4-ylpropyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 44631792
N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-3-amine
CID 57396634
4-(1-Methyl-5-phenyl-1,2,4-triazin-1-ium-3-yl)morpholine
CID 6415497
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
CID 134809092
1-Ethyl-3-(morpholin-4-yl)-5-phenyl-1,2,4-triazin-1-ium
CID 6400921
N-[2-(2-morpholin-4-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 125423867
N-(2-ethoxyethyl)-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 22118863
N-(2-methoxyethyl)-3-(4-morpholinophenyl)imidazo[1,2-b]pyridazin-6-amine
CID 66889701

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine (CID 112944290) is N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine is CC(C)(C)c1ccc(Nc2cnnc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The InChIKey is ADEWTKGBXGTRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)13-4-6-14(7-5-13)19-15-12-18-21-16(20-15)22-8-10-23-11-9-22/h4-7,12H,8-11H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine has a molecular weight of 313.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112944290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).