N'-amino-7H-purine-6-carboximidamide

C6H7N7 — CID 74050937

IUPACN'-amino-7H-purine-6-carboximidamide
SMILESNN=C(N)c1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N7/c7-5(13-8)3-4-6(11-1-9-3)12-2-10-4/h1-2H,8H2,(H2,7,13)(H,9,10,11,12)
InChIKeySLOONKAUXZHPQG-UHFFFAOYSA-N
MW177.17 g/mol
LogP-1.07
Rot. Bonds1

About N'-amino-7H-purine-6-carboximidamide

N'-amino-7H-purine-6-carboximidamide (PubChem CID 74050937) has the molecular formula C6H7N7 and a molecular weight of 177.17 g/mol. Its IUPAC name is N'-amino-7H-purine-6-carboximidamide.

Molecular Properties

Compound NameN'-amino-7H-purine-6-carboximidamide
PubChem CID74050937
Molecular FormulaC6H7N7
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN'-amino-7H-purine-6-carboximidamide
SMILESNN=C(N)c1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N7/c7-5(13-8)3-4-6(11-1-9-3)12-2-10-4/h1-2H,8H2,(H2,7,13)(H,9,10,11,12)
InChIKeySLOONKAUXZHPQG-UHFFFAOYSA-N
XLogP-1.07
TPSA118.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-amino-7H-purine-6-carboximidamide?
The IUPAC name of N'-amino-7H-purine-6-carboximidamide (CID 74050937) is N'-amino-7H-purine-6-carboximidamide.
What is the SMILES notation for N'-amino-7H-purine-6-carboximidamide?
The canonical SMILES for N'-amino-7H-purine-6-carboximidamide is NN=C(N)c1ncnc2nc[nH]c12.
What is the InChIKey of N'-amino-7H-purine-6-carboximidamide?
The InChIKey is SLOONKAUXZHPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7/c7-5(13-8)3-4-6(11-1-9-3)12-2-10-4/h1-2H,8H2,(H2,7,13)(H,9,10,11,12).
What are the key properties of N'-amino-7H-purine-6-carboximidamide?
N'-amino-7H-purine-6-carboximidamide has a molecular weight of 177.17 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-7H-purine-6-carboximidamide is sourced from PubChem (CID 74050937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).