5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine

C18H24N4O3 — CID 25369060

IUPAC5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCC[C@H]3CCCCO3)n2)c(OC)c1
InChIInChI=1S/C18H24N4O3/c1-23-14-6-7-15(17(11-14)24-2)16-12-20-22-18(21-16)19-9-8-13-5-3-4-10-25-13/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,19,21,22)/t13-/m1/s1
InChIKeyGOEFLYYGNKNCHD-CYBMUJFWSA-N
MW344.42 g/mol
LogP2.93
Rot. Bonds7

About 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine

5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine (PubChem CID 25369060) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
PubChem CID25369060
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCC[C@H]3CCCCO3)n2)c(OC)c1
InChIInChI=1S/C18H24N4O3/c1-23-14-6-7-15(17(11-14)24-2)16-12-20-22-18(21-16)19-9-8-13-5-3-4-10-25-13/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,19,21,22)/t13-/m1/s1
InChIKeyGOEFLYYGNKNCHD-CYBMUJFWSA-N
XLogP2.93
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
CID 42526363
5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
CID 29150259
5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 42415404
5-(2,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazin-3-amine
CID 28955643
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039856
1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953131
3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 42879342
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958785
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954514
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912522
2-N-(2,4-dimethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886782

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine (CID 25369060) is 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NCC[C@H]3CCCCO3)n2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine?
The InChIKey is GOEFLYYGNKNCHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-23-14-6-7-15(17(11-14)24-2)16-12-20-22-18(21-16)19-9-8-13-5-3-4-10-25-13/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,19,21,22)/t13-/m1/s1.
What are the key properties of 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine?
5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine has a molecular weight of 344.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 25369060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).