5-N-phenyltriazole-1,5-diamine

C8H9N5 — CID 14398041

IUPAC5-N-phenyltriazole-1,5-diamine
SMILESNn1nncc1Nc1ccccc1
InChIInChI=1S/C8H9N5/c9-13-8(6-10-12-13)11-7-4-2-1-3-5-7/h1-6,11H,9H2
InChIKeyLKWRYNARXLFNQA-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.74
Rot. Bonds2

About 5-N-phenyltriazole-1,5-diamine

5-N-phenyltriazole-1,5-diamine (PubChem CID 14398041) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-N-phenyltriazole-1,5-diamine.

Molecular Properties

Compound Name5-N-phenyltriazole-1,5-diamine
PubChem CID14398041
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name5-N-phenyltriazole-1,5-diamine
SMILESNn1nncc1Nc1ccccc1
InChIInChI=1S/C8H9N5/c9-13-8(6-10-12-13)11-7-4-2-1-3-5-7/h1-6,11H,9H2
InChIKeyLKWRYNARXLFNQA-UHFFFAOYSA-N
XLogP0.74
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-phenyltriazole-1,5-diamine?
The IUPAC name of 5-N-phenyltriazole-1,5-diamine (CID 14398041) is 5-N-phenyltriazole-1,5-diamine.
What is the SMILES notation for 5-N-phenyltriazole-1,5-diamine?
The canonical SMILES for 5-N-phenyltriazole-1,5-diamine is Nn1nncc1Nc1ccccc1.
What is the InChIKey of 5-N-phenyltriazole-1,5-diamine?
The InChIKey is LKWRYNARXLFNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-13-8(6-10-12-13)11-7-4-2-1-3-5-7/h1-6,11H,9H2.
What are the key properties of 5-N-phenyltriazole-1,5-diamine?
5-N-phenyltriazole-1,5-diamine has a molecular weight of 175.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-phenyltriazole-1,5-diamine is sourced from PubChem (CID 14398041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).