N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline

C13H16N4O — CID 144783873

IUPACN,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline
SMILESCNc1cccc(C)c1COc1nncnc1C
InChIInChI=1S/C13H16N4O/c1-9-5-4-6-12(14-3)11(9)7-18-13-10(2)15-8-16-17-13/h4-6,8,14H,7H2,1-3H3
InChIKeyCWKWQVYRMHGTKN-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.11
Rot. Bonds4

About N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline

N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline (PubChem CID 144783873) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline
PubChem CID144783873
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline
SMILESCNc1cccc(C)c1COc1nncnc1C
InChIInChI=1S/C13H16N4O/c1-9-5-4-6-12(14-3)11(9)7-18-13-10(2)15-8-16-17-13/h4-6,8,14H,7H2,1-3H3
InChIKeyCWKWQVYRMHGTKN-UHFFFAOYSA-N
XLogP2.11
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline?
The IUPAC name of N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline (CID 144783873) is N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline.
What is the SMILES notation for N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline?
The canonical SMILES for N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline is CNc1cccc(C)c1COc1nncnc1C.
What is the InChIKey of N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline?
The InChIKey is CWKWQVYRMHGTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-5-4-6-12(14-3)11(9)7-18-13-10(2)15-8-16-17-13/h4-6,8,14H,7H2,1-3H3.
What are the key properties of N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline?
N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline has a molecular weight of 244.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline is sourced from PubChem (CID 144783873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).