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

C14H16N4O — CID 114448230

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC2Cc3ccccc3O2)nc1C
InChIInChI=1S/C14H16N4O/c1-9-10(2)17-18-14(16-9)15-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12H,7-8H2,1-2H3,(H,15,16,18)
InChIKeyRYWPBJMYMAACSK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.90
Rot. Bonds3

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114448230) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114448230
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC2Cc3ccccc3O2)nc1C
InChIInChI=1S/C14H16N4O/c1-9-10(2)17-18-14(16-9)15-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12H,7-8H2,1-2H3,(H,15,16,18)
InChIKeyRYWPBJMYMAACSK-UHFFFAOYSA-N
XLogP1.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.90
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-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114448230) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NCC2Cc3ccccc3O2)nc1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is RYWPBJMYMAACSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-10(2)17-18-14(16-9)15-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12H,7-8H2,1-2H3,(H,15,16,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 256.31 g/mol, XLogP of 1.90, 3 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-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).