1,2,4-triazol-4-amine

C4H8N8 — CID 157209036

IUPAC1,2,4-triazol-4-amine
SMILESNn1cnnc1.Nn1cnnc1
InChIInChI=1S/2C2H4N4/c2*3-6-1-4-5-2-6/h2*1-2H,3H2
InChIKeyARRJDWRJGFXFOW-UHFFFAOYSA-N
MW168.16 g/mol
LogP-2.02
Rot. Bonds

About 1,2,4-triazol-4-amine

1,2,4-triazol-4-amine (PubChem CID 157209036) has the molecular formula C4H8N8 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1,2,4-triazol-4-amine.

Molecular Properties

Compound Name1,2,4-triazol-4-amine
PubChem CID157209036
Molecular FormulaC4H8N8
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name1,2,4-triazol-4-amine
SMILESNn1cnnc1.Nn1cnnc1
InChIInChI=1S/2C2H4N4/c2*3-6-1-4-5-2-6/h2*1-2H,3H2
InChIKeyARRJDWRJGFXFOW-UHFFFAOYSA-N
XLogP-2.02
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazol-4-amine?
The IUPAC name of 1,2,4-triazol-4-amine (CID 157209036) is 1,2,4-triazol-4-amine.
What is the SMILES notation for 1,2,4-triazol-4-amine?
The canonical SMILES for 1,2,4-triazol-4-amine is Nn1cnnc1.Nn1cnnc1.
What is the InChIKey of 1,2,4-triazol-4-amine?
The InChIKey is ARRJDWRJGFXFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4N4/c2*3-6-1-4-5-2-6/h2*1-2H,3H2.
What are the key properties of 1,2,4-triazol-4-amine?
1,2,4-triazol-4-amine has a molecular weight of 168.16 g/mol, XLogP of -2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazol-4-amine is sourced from PubChem (CID 157209036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).