N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine

C14H16N7+ — CID 123305427

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine
SMILESNNc1nc(NC2Cc3ccccc3C2)c2[nH]c[nH+]c2n1
InChIInChI=1S/C14H15N7/c15-21-14-19-12-11(16-7-17-12)13(20-14)18-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6,15H2,(H3,16,17,18,19,20,21)/p+1
InChIKeyJXEBEENFKMSQOX-UHFFFAOYSA-O
MW282.33 g/mol
LogP0.64
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine

N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine (PubChem CID 123305427) has the molecular formula C14H16N7+ and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine
PubChem CID123305427
Molecular FormulaC14H16N7+
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine
SMILESNNc1nc(NC2Cc3ccccc3C2)c2[nH]c[nH+]c2n1
InChIInChI=1S/C14H15N7/c15-21-14-19-12-11(16-7-17-12)13(20-14)18-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6,15H2,(H3,16,17,18,19,20,21)/p+1
InChIKeyJXEBEENFKMSQOX-UHFFFAOYSA-O
XLogP0.64
TPSA105.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine (CID 123305427) is N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine is NNc1nc(NC2Cc3ccccc3C2)c2[nH]c[nH+]c2n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine?
The InChIKey is JXEBEENFKMSQOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N7/c15-21-14-19-12-11(16-7-17-12)13(20-14)18-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6,15H2,(H3,16,17,18,19,20,21)/p+1.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine?
N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine has a molecular weight of 282.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine is sourced from PubChem (CID 123305427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).