3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide

C6H14Br2N6 — CID 14450379

IUPAC3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide
SMILESBr.Br.Nc1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C6H12N6.2BrH/c7-5-9-6(11-10-5)12-3-1-8-2-4-12;;/h8H,1-4H2,(H3,7,9,10,11);2*1H
InChIKeyCVLJANJDOSHAQY-UHFFFAOYSA-N
MW330.03 g/mol
LogP-0.05
Rot. Bonds1

About 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide

3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide (PubChem CID 14450379) has the molecular formula C6H14Br2N6 and a molecular weight of 330.03 g/mol. Its IUPAC name is 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide.

Molecular Properties

Compound Name3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide
PubChem CID14450379
Molecular FormulaC6H14Br2N6
Molecular Weight330.03 g/mol
Exact Mass327.96
IUPAC Name3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide
SMILESBr.Br.Nc1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C6H12N6.2BrH/c7-5-9-6(11-10-5)12-3-1-8-2-4-12;;/h8H,1-4H2,(H3,7,9,10,11);2*1H
InChIKeyCVLJANJDOSHAQY-UHFFFAOYSA-N
XLogP-0.05
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.03
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide?
The IUPAC name of 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide (CID 14450379) is 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide.
What is the SMILES notation for 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide?
The canonical SMILES for 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide is Br.Br.Nc1nc(N2CCNCC2)n[nH]1.
What is the InChIKey of 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide?
The InChIKey is CVLJANJDOSHAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6.2BrH/c7-5-9-6(11-10-5)12-3-1-8-2-4-12;;/h8H,1-4H2,(H3,7,9,10,11);2*1H.
What are the key properties of 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide?
3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide has a molecular weight of 330.03 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine;dihydrobromide is sourced from PubChem (CID 14450379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).