N-benzyl-2-hydrazinyl-7H-purin-6-amine

C12H13N7 — CID 131856143

IUPACN-benzyl-2-hydrazinyl-7H-purin-6-amine
SMILESNNc1nc(NCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C12H13N7/c13-19-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H3,14,15,16,17,18,19)
InChIKeyCUICXQPEOMMVHH-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.25
Rot. Bonds4

About N-benzyl-2-hydrazinyl-7H-purin-6-amine

N-benzyl-2-hydrazinyl-7H-purin-6-amine (PubChem CID 131856143) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-benzyl-2-hydrazinyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-benzyl-2-hydrazinyl-7H-purin-6-amine
PubChem CID131856143
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC NameN-benzyl-2-hydrazinyl-7H-purin-6-amine
SMILESNNc1nc(NCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C12H13N7/c13-19-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H3,14,15,16,17,18,19)
InChIKeyCUICXQPEOMMVHH-UHFFFAOYSA-N
XLogP1.25
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.25
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-[6-(benzylamino)-7H-purin-2-yl]benzamide
CID 155563377
2-[6-(benzylamino)-7H-purin-2-yl]ethanol
CID 141447659
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-7H-purine-2,6-diamine
CID 117084912
6-N-benzyl-2-N-[3-(2-methoxyethoxy)phenyl]-7H-purine-2,6-diamine
CID 118426241
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(4-fluorophenyl)methyl]-7H-purine-2,6-diamine
CID 142742326
N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine
CID 58451194
2-N-(4-aminocyclohexyl)-6-N-[2-(benzylamino)ethyl]-7H-purine-2,6-diamine;hydrochloride
CID 159115587
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155555496
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-phenyl-7H-purine-2,6-diamine
CID 117092742

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydrazinyl-7H-purin-6-amine?
The IUPAC name of N-benzyl-2-hydrazinyl-7H-purin-6-amine (CID 131856143) is N-benzyl-2-hydrazinyl-7H-purin-6-amine.
What is the SMILES notation for N-benzyl-2-hydrazinyl-7H-purin-6-amine?
The canonical SMILES for N-benzyl-2-hydrazinyl-7H-purin-6-amine is NNc1nc(NCc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of N-benzyl-2-hydrazinyl-7H-purin-6-amine?
The InChIKey is CUICXQPEOMMVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c13-19-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H3,14,15,16,17,18,19).
What are the key properties of N-benzyl-2-hydrazinyl-7H-purin-6-amine?
N-benzyl-2-hydrazinyl-7H-purin-6-amine has a molecular weight of 255.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydrazinyl-7H-purin-6-amine is sourced from PubChem (CID 131856143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).