N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine

C16H20N4O — CID 105362466

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC2Cc3ccccc3O2)nc1CC
InChIInChI=1S/C16H20N4O/c1-3-13-14(4-2)19-20-16(18-13)17-10-12-9-11-7-5-6-8-15(11)21-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,18,20)
InChIKeyFXODIQXLKGSQPV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105362466) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105362466
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC2Cc3ccccc3O2)nc1CC
InChIInChI=1S/C16H20N4O/c1-3-13-14(4-2)19-20-16(18-13)17-10-12-9-11-7-5-6-8-15(11)21-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,18,20)
InChIKeyFXODIQXLKGSQPV-UHFFFAOYSA-N
XLogP2.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine (CID 105362466) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCC2Cc3ccccc3O2)nc1CC.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is FXODIQXLKGSQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-13-14(4-2)19-20-16(18-13)17-10-12-9-11-7-5-6-8-15(11)21-12/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,18,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).