N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine

C14H18N4O — CID 104918777

IUPACN-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCOc1ccccc1CCNc1nnc(C)c(C)n1
InChIInChI=1S/C14H18N4O/c1-10-11(2)17-18-14(16-10)15-9-8-12-6-4-5-7-13(12)19-3/h4-7H,8-9H2,1-3H3,(H,15,16,18)
InChIKeyTTYPVWMLHDZBTC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine

N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 104918777) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID104918777
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCOc1ccccc1CCNc1nnc(C)c(C)n1
InChIInChI=1S/C14H18N4O/c1-10-11(2)17-18-14(16-10)15-9-8-12-6-4-5-7-13(12)19-3/h4-7H,8-9H2,1-3H3,(H,15,16,18)
InChIKeyTTYPVWMLHDZBTC-UHFFFAOYSA-N
XLogP2.15
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 104918777) is N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is COc1ccccc1CCNc1nnc(C)c(C)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is TTYPVWMLHDZBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-11(2)17-18-14(16-10)15-9-8-12-6-4-5-7-13(12)19-3/h4-7H,8-9H2,1-3H3,(H,15,16,18).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 104918777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).