1H-1,2,4-triazol-5-amine

C4H8N8 — CID 22743754

IUPAC1H-1,2,4-triazol-5-amine
SMILESNc1ncn[nH]1.Nc1ncn[nH]1
InChIInChI=1S/2C2H4N4/c2*3-2-4-1-5-6-2/h2*1H,(H3,3,4,5,6)
InChIKeyGFHYNILUYZMFAM-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.23
Rot. Bonds

About 1H-1,2,4-triazol-5-amine

1H-1,2,4-triazol-5-amine (PubChem CID 22743754) has the molecular formula C4H8N8 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-amine
PubChem CID22743754
Molecular FormulaC4H8N8
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name1H-1,2,4-triazol-5-amine
SMILESNc1ncn[nH]1.Nc1ncn[nH]1
InChIInChI=1S/2C2H4N4/c2*3-2-4-1-5-6-2/h2*1H,(H3,3,4,5,6)
InChIKeyGFHYNILUYZMFAM-UHFFFAOYSA-N
XLogP-1.23
TPSA135.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-amine?
The IUPAC name of 1H-1,2,4-triazol-5-amine (CID 22743754) is 1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 1H-1,2,4-triazol-5-amine?
The canonical SMILES for 1H-1,2,4-triazol-5-amine is Nc1ncn[nH]1.Nc1ncn[nH]1.
What is the InChIKey of 1H-1,2,4-triazol-5-amine?
The InChIKey is GFHYNILUYZMFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4N4/c2*3-2-4-1-5-6-2/h2*1H,(H3,3,4,5,6).
What are the key properties of 1H-1,2,4-triazol-5-amine?
1H-1,2,4-triazol-5-amine has a molecular weight of 168.16 g/mol, XLogP of -1.23, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 22743754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).