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

C14H19N5 — CID 114787292

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCCN(Cc1ccccc1N)c1nnc(C)c(C)n1
InChIInChI=1S/C14H19N5/c1-4-19(9-12-7-5-6-8-13(12)15)14-16-10(2)11(3)17-18-14/h5-8H,4,9,15H2,1-3H3
InChIKeyQIGUKFGXKWDGHC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.10
Rot. Bonds4

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

N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114787292) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114787292
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCCN(Cc1ccccc1N)c1nnc(C)c(C)n1
InChIInChI=1S/C14H19N5/c1-4-19(9-12-7-5-6-8-13(12)15)14-16-10(2)11(3)17-18-14/h5-8H,4,9,15H2,1-3H3
InChIKeyQIGUKFGXKWDGHC-UHFFFAOYSA-N
XLogP2.10
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
CID 83064268
N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208770
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 113432149
N-[(2-aminophenyl)methyl]-N-ethylquinolin-2-amine
CID 60875708
N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
CID 83062625
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
CID 60894206
N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65208881
2-[(2-aminophenyl)methyl-ethylamino]benzonitrile
CID 60877021
N-[(2-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476643
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 61096622

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114787292) is N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine is CCN(Cc1ccccc1N)c1nnc(C)c(C)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is QIGUKFGXKWDGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-19(9-12-7-5-6-8-13(12)15)14-16-10(2)11(3)17-18-14/h5-8H,4,9,15H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114787292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).