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

C12H23N5O — CID 106308253

IUPACN-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOCCN)nc1CC
InChIInChI=1S/C12H23N5O/c1-3-10-11(4-2)16-17-12(15-10)14-7-5-8-18-9-6-13/h3-9,13H2,1-2H3,(H,14,15,17)
InChIKeySYXBEHCKTCKFSG-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.77
Rot. Bonds9

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

N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 106308253) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID106308253
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOCCN)nc1CC
InChIInChI=1S/C12H23N5O/c1-3-10-11(4-2)16-17-12(15-10)14-7-5-8-18-9-6-13/h3-9,13H2,1-2H3,(H,14,15,17)
InChIKeySYXBEHCKTCKFSG-UHFFFAOYSA-N
XLogP0.77
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine
CID 114163207
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105362989
6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
CID 105362032
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine (CID 106308253) is N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCCCOCCN)nc1CC.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is SYXBEHCKTCKFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-10-11(4-2)16-17-12(15-10)14-7-5-8-18-9-6-13/h3-9,13H2,1-2H3,(H,14,15,17).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine?
N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 253.35 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 106308253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).