6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

C14H19N5O3 — CID 53404429

IUPAC6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cc(Nc2ncc(C(C)N)nn2)cc(OC)c1OC
InChIInChI=1S/C14H19N5O3/c1-8(15)10-7-16-14(19-18-10)17-9-5-11(20-2)13(22-4)12(6-9)21-3/h5-8H,15H2,1-4H3,(H,16,17,19)
InChIKeyBXYVANSPHDUABZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.66
Rot. Bonds6

About 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 53404429) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID53404429
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cc(Nc2ncc(C(C)N)nn2)cc(OC)c1OC
InChIInChI=1S/C14H19N5O3/c1-8(15)10-7-16-14(19-18-10)17-9-5-11(20-2)13(22-4)12(6-9)21-3/h5-8H,15H2,1-4H3,(H,16,17,19)
InChIKeyBXYVANSPHDUABZ-UHFFFAOYSA-N
XLogP1.66
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-benzoyl-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide
CID 58711926
5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;trihydrochloride
CID 67203539
2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide
CID 58711991
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
1-(3-methoxy-1,2,4-triazin-6-yl)ethanamine
CID 83826424
3-bromo-N-[[3-(3,4-dimethoxy-5-methylanilino)-1,2,4-triazin-6-yl]-(methylamino)methyl]benzamide;ethane
CID 142948626
3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
CID 62477219
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87365127
[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]urea
CID 151561300
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine (CID 53404429) is 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine is COc1cc(Nc2ncc(C(C)N)nn2)cc(OC)c1OC.
What is the InChIKey of 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is BXYVANSPHDUABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8(15)10-7-16-14(19-18-10)17-9-5-11(20-2)13(22-4)12(6-9)21-3/h5-8H,15H2,1-4H3,(H,16,17,19).
What are the key properties of 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 305.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 53404429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).