3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride

C7H12ClN5O — CID 137091117

IUPAC3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride
SMILESCl.O=c1cnnc(N2CCNCC2)[nH]1
InChIInChI=1S/C7H11N5O.ClH/c13-6-5-9-11-7(10-6)12-3-1-8-2-4-12;/h5,8H,1-4H2,(H,10,11,13);1H
InChIKeyMNUFOKMRDJFRMA-UHFFFAOYSA-N
MW217.66 g/mol
LogP-1.00
Rot. Bonds1

About 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride

3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride (PubChem CID 137091117) has the molecular formula C7H12ClN5O and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride.

Molecular Properties

Compound Name3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride
PubChem CID137091117
Molecular FormulaC7H12ClN5O
Molecular Weight217.66 g/mol
Exact Mass217.07
IUPAC Name3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride
SMILESCl.O=c1cnnc(N2CCNCC2)[nH]1
InChIInChI=1S/C7H11N5O.ClH/c13-6-5-9-11-7(10-6)12-3-1-8-2-4-12;/h5,8H,1-4H2,(H,10,11,13);1H
InChIKeyMNUFOKMRDJFRMA-UHFFFAOYSA-N
XLogP-1.00
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride?
The IUPAC name of 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride (CID 137091117) is 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride.
What is the SMILES notation for 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride?
The canonical SMILES for 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride is Cl.O=c1cnnc(N2CCNCC2)[nH]1.
What is the InChIKey of 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride?
The InChIKey is MNUFOKMRDJFRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O.ClH/c13-6-5-9-11-7(10-6)12-3-1-8-2-4-12;/h5,8H,1-4H2,(H,10,11,13);1H.
What are the key properties of 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride?
3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-4H-1,2,4-triazin-5-one;hydrochloride is sourced from PubChem (CID 137091117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).