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

C7H13ClN4O — CID 91643274

IUPAC4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
SMILESCl.O=c1[nH]ncn1C1CCNCC1
InChIInChI=1S/C7H12N4O.ClH/c12-7-10-9-5-11(7)6-1-3-8-4-2-6;/h5-6,8H,1-4H2,(H,10,12);1H
InChIKeyDDPXZRVBMAWHDA-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.08
Rot. Bonds1

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

4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride (PubChem CID 91643274) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
PubChem CID91643274
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
SMILESCl.O=c1[nH]ncn1C1CCNCC1
InChIInChI=1S/C7H12N4O.ClH/c12-7-10-9-5-11(7)6-1-3-8-4-2-6;/h5-6,8H,1-4H2,(H,10,12);1H
InChIKeyDDPXZRVBMAWHDA-UHFFFAOYSA-N
XLogP-0.08
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The IUPAC name of 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride (CID 91643274) is 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride.
What is the SMILES notation for 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The canonical SMILES for 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride is Cl.O=c1[nH]ncn1C1CCNCC1.
What is the InChIKey of 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
The InChIKey is DDPXZRVBMAWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c12-7-10-9-5-11(7)6-1-3-8-4-2-6;/h5-6,8H,1-4H2,(H,10,12);1H.
What are the key properties of 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride?
4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride is sourced from PubChem (CID 91643274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).