N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine

C10H11N7O — CID 3420363

IUPACN-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine
SMILESNNc1nc(NCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C10H11N7O/c11-17-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-18-6/h1-3,5H,4,11H2,(H3,12,13,14,15,16,17)
InChIKeyHMHKASRWLSCHGE-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.84
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine

N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine (PubChem CID 3420363) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine
PubChem CID3420363
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC NameN-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine
SMILESNNc1nc(NCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C10H11N7O/c11-17-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-18-6/h1-3,5H,4,11H2,(H3,12,13,14,15,16,17)
InChIKeyHMHKASRWLSCHGE-UHFFFAOYSA-N
XLogP0.84
TPSA117.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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)-2-hydrazinyl-7H-purin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine (CID 3420363) is N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine is NNc1nc(NCc2ccco2)c2[nH]cnc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine?
The InChIKey is HMHKASRWLSCHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c11-17-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-18-6/h1-3,5H,4,11H2,(H3,12,13,14,15,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine?
N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine has a molecular weight of 245.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-hydrazinyl-7H-purin-6-amine is sourced from PubChem (CID 3420363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).