7H-purine-3,4-diamine

C5H8N6 — CID 139329286

IUPAC7H-purine-3,4-diamine
SMILESNN1C=NC=C2NC=NC21N
InChIInChI=1S/C5H8N6/c6-5-4(9-2-10-5)1-8-3-11(5)7/h1-3H,6-7H2,(H,9,10)
InChIKeyRWGPJWKKCGOUAW-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.71
Rot. Bonds

About 7H-purine-3,4-diamine

7H-purine-3,4-diamine (PubChem CID 139329286) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is 7H-purine-3,4-diamine.

Molecular Properties

Compound Name7H-purine-3,4-diamine
PubChem CID139329286
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name7H-purine-3,4-diamine
SMILESNN1C=NC=C2NC=NC21N
InChIInChI=1S/C5H8N6/c6-5-4(9-2-10-5)1-8-3-11(5)7/h1-3H,6-7H2,(H,9,10)
InChIKeyRWGPJWKKCGOUAW-UHFFFAOYSA-N
XLogP-1.71
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7H-purine-3,4-diamine?
The IUPAC name of 7H-purine-3,4-diamine (CID 139329286) is 7H-purine-3,4-diamine.
What is the SMILES notation for 7H-purine-3,4-diamine?
The canonical SMILES for 7H-purine-3,4-diamine is NN1C=NC=C2NC=NC21N.
What is the InChIKey of 7H-purine-3,4-diamine?
The InChIKey is RWGPJWKKCGOUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c6-5-4(9-2-10-5)1-8-3-11(5)7/h1-3H,6-7H2,(H,9,10).
What are the key properties of 7H-purine-3,4-diamine?
7H-purine-3,4-diamine has a molecular weight of 152.16 g/mol, XLogP of -1.71, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine-3,4-diamine is sourced from PubChem (CID 139329286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).