1H-1,2,4-triazole;hydrobromide

C2H4BrN3 — CID 158506320

IUPAC1H-1,2,4-triazole;hydrobromide
SMILESBr.c1nc[nH]n1
InChIInChI=1S/C2H3N3.BrH/c1-3-2-5-4-1;/h1-2H,(H,3,4,5);1H
InChIKeyRLOWRCNOBNILBK-UHFFFAOYSA-N
MW149.98 g/mol
LogP0.38
Rot. Bonds

About 1H-1,2,4-triazole;hydrobromide

1H-1,2,4-triazole;hydrobromide (PubChem CID 158506320) has the molecular formula C2H4BrN3 and a molecular weight of 149.98 g/mol. Its IUPAC name is 1H-1,2,4-triazole;hydrobromide.

Molecular Properties

Compound Name1H-1,2,4-triazole;hydrobromide
PubChem CID158506320
Molecular FormulaC2H4BrN3
Molecular Weight149.98 g/mol
Exact Mass148.96
IUPAC Name1H-1,2,4-triazole;hydrobromide
SMILESBr.c1nc[nH]n1
InChIInChI=1S/C2H3N3.BrH/c1-3-2-5-4-1;/h1-2H,(H,3,4,5);1H
InChIKeyRLOWRCNOBNILBK-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.98
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazole;hydrobromide?
The IUPAC name of 1H-1,2,4-triazole;hydrobromide (CID 158506320) is 1H-1,2,4-triazole;hydrobromide.
What is the SMILES notation for 1H-1,2,4-triazole;hydrobromide?
The canonical SMILES for 1H-1,2,4-triazole;hydrobromide is Br.c1nc[nH]n1.
What is the InChIKey of 1H-1,2,4-triazole;hydrobromide?
The InChIKey is RLOWRCNOBNILBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.BrH/c1-3-2-5-4-1;/h1-2H,(H,3,4,5);1H.
What are the key properties of 1H-1,2,4-triazole;hydrobromide?
1H-1,2,4-triazole;hydrobromide has a molecular weight of 149.98 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazole;hydrobromide is sourced from PubChem (CID 158506320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).