3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride

C7H13ClN4O — CID 136660906

IUPAC3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
SMILESCl.O=c1[nH]nc(C2CCNCC2)[nH]1
InChIInChI=1S/C7H12N4O.ClH/c12-7-9-6(10-11-7)5-1-3-8-4-2-5;/h5,8H,1-4H2,(H2,9,10,11,12);1H
InChIKeyIBEYESJKKLMWSZ-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.01
Rot. Bonds1

About 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride

3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride (PubChem CID 136660906) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
PubChem CID136660906
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
SMILESCl.O=c1[nH]nc(C2CCNCC2)[nH]1
InChIInChI=1S/C7H12N4O.ClH/c12-7-9-6(10-11-7)5-1-3-8-4-2-5;/h5,8H,1-4H2,(H2,9,10,11,12);1H
InChIKeyIBEYESJKKLMWSZ-UHFFFAOYSA-N
XLogP-0.01
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride (CID 136660906) is 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride is Cl.O=c1[nH]nc(C2CCNCC2)[nH]1.
What is the InChIKey of 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The InChIKey is IBEYESJKKLMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c12-7-9-6(10-11-7)5-1-3-8-4-2-5;/h5,8H,1-4H2,(H2,9,10,11,12);1H.
What are the key properties of 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride is sourced from PubChem (CID 136660906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).