1-N-benzylimidazole-1,2,5-triamine

C10H13N5 — CID 69238999

IUPAC1-N-benzylimidazole-1,2,5-triamine
SMILESNc1cnc(N)n1NCc1ccccc1
InChIInChI=1S/C10H13N5/c11-9-7-13-10(12)15(9)14-6-8-4-2-1-3-5-8/h1-5,7,14H,6,11H2,(H2,12,13)
InChIKeyALUKVIHXTNSKLX-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.79
Rot. Bonds3

About 1-N-benzylimidazole-1,2,5-triamine

1-N-benzylimidazole-1,2,5-triamine (PubChem CID 69238999) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-N-benzylimidazole-1,2,5-triamine.

Molecular Properties

Compound Name1-N-benzylimidazole-1,2,5-triamine
PubChem CID69238999
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-N-benzylimidazole-1,2,5-triamine
SMILESNc1cnc(N)n1NCc1ccccc1
InChIInChI=1S/C10H13N5/c11-9-7-13-10(12)15(9)14-6-8-4-2-1-3-5-8/h1-5,7,14H,6,11H2,(H2,12,13)
InChIKeyALUKVIHXTNSKLX-UHFFFAOYSA-N
XLogP0.79
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzylimidazole-1,2,5-triamine?
The IUPAC name of 1-N-benzylimidazole-1,2,5-triamine (CID 69238999) is 1-N-benzylimidazole-1,2,5-triamine.
What is the SMILES notation for 1-N-benzylimidazole-1,2,5-triamine?
The canonical SMILES for 1-N-benzylimidazole-1,2,5-triamine is Nc1cnc(N)n1NCc1ccccc1.
What is the InChIKey of 1-N-benzylimidazole-1,2,5-triamine?
The InChIKey is ALUKVIHXTNSKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-9-7-13-10(12)15(9)14-6-8-4-2-1-3-5-8/h1-5,7,14H,6,11H2,(H2,12,13).
What are the key properties of 1-N-benzylimidazole-1,2,5-triamine?
1-N-benzylimidazole-1,2,5-triamine has a molecular weight of 203.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzylimidazole-1,2,5-triamine is sourced from PubChem (CID 69238999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).