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

C14H15N7 — CID 58451194

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine
SMILESNNc1nc(NC2Cc3ccccc3C2)c2[nH]cnc2n1
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)
InChIKeyJXEBEENFKMSQOX-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.22
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine (PubChem CID 58451194) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine
PubChem CID58451194
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine
SMILESNNc1nc(NC2Cc3ccccc3C2)c2[nH]cnc2n1
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)
InChIKeyJXEBEENFKMSQOX-UHFFFAOYSA-N
XLogP1.22
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-9-ium-6-amine
CID 123305427
N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107855056
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172
2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride
CID 22149693
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
3-[(6-anilino-7H-purin-2-yl)amino]-1-methylcyclobutan-1-ol
CID 167951915
5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one
CID 114785220

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine (CID 58451194) is N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine is NNc1nc(NC2Cc3ccccc3C2)c2[nH]cnc2n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine?
The InChIKey is JXEBEENFKMSQOX-UHFFFAOYSA-N. 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).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine?
N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine has a molecular weight of 281.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine is sourced from PubChem (CID 58451194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).