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

C13H17N5O — CID 114787066

IUPACN-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(Nc2cccc(OCCN)c2)nc1C
InChIInChI=1S/C13H17N5O/c1-9-10(2)17-18-13(15-9)16-11-4-3-5-12(8-11)19-7-6-14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16,18)
InChIKeyNIEJJAPSTQUZBS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.57
Rot. Bonds5

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

N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114787066) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114787066
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(Nc2cccc(OCCN)c2)nc1C
InChIInChI=1S/C13H17N5O/c1-9-10(2)17-18-13(15-9)16-11-4-3-5-12(8-11)19-7-6-14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16,18)
InChIKeyNIEJJAPSTQUZBS-UHFFFAOYSA-N
XLogP1.57
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine
CID 82478568
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
N-[3-(2-aminoethoxy)phenyl]-6-ethoxypyridin-2-amine
CID 63590964
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
CID 63121028
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806
methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
CID 63121112
N-[3-(2-aminoethoxy)phenyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449878
3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline
CID 143981627
N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28755050
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114787066) is N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(Nc2cccc(OCCN)c2)nc1C.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is NIEJJAPSTQUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-10(2)17-18-13(15-9)16-11-4-3-5-12(8-11)19-7-6-14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16,18).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 259.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114787066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).