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

C13H16N6O2 — CID 80903442

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C13H16N6O2/c1-20-13-17-11(16-12(18-13)19-14)15-7-9-6-8-4-2-3-5-10(8)21-9/h2-5,9H,6-7,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyFHZPNJMNTWIZPG-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.58
Rot. Bonds5

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80903442) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80903442
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C13H16N6O2/c1-20-13-17-11(16-12(18-13)19-14)15-7-9-6-8-4-2-3-5-10(8)21-9/h2-5,9H,6-7,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyFHZPNJMNTWIZPG-UHFFFAOYSA-N
XLogP0.58
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80903442) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NN)nc(NCC2Cc3ccccc3O2)n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FHZPNJMNTWIZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-20-13-17-11(16-12(18-13)19-14)15-7-9-6-8-4-2-3-5-10(8)21-9/h2-5,9H,6-7,14H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80903442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).