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

C10H14N6O2 — CID 80906186

IUPACN-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(N(C)Cc2ccco2)n1
InChIInChI=1S/C10H14N6O2/c1-16(6-7-4-3-5-18-7)9-12-8(15-11)13-10(14-9)17-2/h3-5H,6,11H2,1-2H3,(H,12,13,14,15)
InChIKeyQXXLOKZFGWHENP-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.40
Rot. Bonds5

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

N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80906186) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80906186
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(N(C)Cc2ccco2)n1
InChIInChI=1S/C10H14N6O2/c1-16(6-7-4-3-5-18-7)9-12-8(15-11)13-10(14-9)17-2/h3-5H,6,11H2,1-2H3,(H,12,13,14,15)
InChIKeyQXXLOKZFGWHENP-UHFFFAOYSA-N
XLogP0.40
TPSA102.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
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-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80906186) is N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(NN)nc(N(C)Cc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is QXXLOKZFGWHENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-16(6-7-4-3-5-18-7)9-12-8(15-11)13-10(14-9)17-2/h3-5H,6,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 250.26 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-hydrazinyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80906186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).