N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine

C22H25N5O — CID 54377972

IUPACN-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine
SMILESCCN(c1nnc(-c2ccccc2)nc1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C22H25N5O/c1-2-27(26-13-15-28-16-14-26)22-20(17-18-9-5-3-6-10-18)23-21(24-25-22)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
InChIKeyUXXCOYJHSAGPII-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.20
Rot. Bonds6

About N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine

N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine (PubChem CID 54377972) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine.

Molecular Properties

Compound NameN-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine
PubChem CID54377972
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine
SMILESCCN(c1nnc(-c2ccccc2)nc1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C22H25N5O/c1-2-27(26-13-15-28-16-14-26)22-20(17-18-9-5-3-6-10-18)23-21(24-25-22)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
InChIKeyUXXCOYJHSAGPII-UHFFFAOYSA-N
XLogP3.20
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyl-N-(1-ethylpyrrolidin-2-yl)-N-methyl-3-phenyl-1,2,4-triazin-6-amine
CID 19787791
4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 46854232
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
5-[(3-chlorophenyl)methyl]-1-(1-morpholin-4-ylethyl)-3-phenyl-1,2,4-triazin-6-one
CID 19787733
N-[2-(azepan-1-yl)ethyl]-5-benzyl-3-phenyl-1,2,4-triazin-6-amine
CID 67857058
N,N-diethyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880527
4-(4-benzyl-1,3-oxazol-5-yl)morpholine
CID 135041945
2-N-ethyl-6-methoxy-2-N-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 69001860
5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine
CID 19787781
4-methyl-6-(2-morpholin-4-ylethyl)-2-phenylpyrimidin-5-ol
CID 12595162
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one
CID 102173601
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine?
The IUPAC name of N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine (CID 54377972) is N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine.
What is the SMILES notation for N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine?
The canonical SMILES for N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine is CCN(c1nnc(-c2ccccc2)nc1Cc1ccccc1)N1CCOCC1.
What is the InChIKey of N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine?
The InChIKey is UXXCOYJHSAGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-27(26-13-15-28-16-14-26)22-20(17-18-9-5-3-6-10-18)23-21(24-25-22)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3.
What are the key properties of N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine?
N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-3-phenyl-1,2,4-triazin-6-yl)-N-ethylmorpholin-4-amine is sourced from PubChem (CID 54377972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).