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

C10H17ClN4O — CID 139026889

IUPAC5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride
SMILESCl.O=c1[nH]c(C2CC2)nn1C1CCNCC1
InChIInChI=1S/C10H16N4O.ClH/c15-10-12-9(7-1-2-7)13-14(10)8-3-5-11-6-4-8;/h7-8,11H,1-6H2,(H,12,13,15);1H
InChIKeyHCEZUWWLVGLORB-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.80
Rot. Bonds2

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

5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride (PubChem CID 139026889) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride
PubChem CID139026889
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride
SMILESCl.O=c1[nH]c(C2CC2)nn1C1CCNCC1
InChIInChI=1S/C10H16N4O.ClH/c15-10-12-9(7-1-2-7)13-14(10)8-3-5-11-6-4-8;/h7-8,11H,1-6H2,(H,12,13,15);1H
InChIKeyHCEZUWWLVGLORB-UHFFFAOYSA-N
XLogP0.80
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride?
The IUPAC name of 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride (CID 139026889) is 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride?
The canonical SMILES for 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride is Cl.O=c1[nH]c(C2CC2)nn1C1CCNCC1.
What is the InChIKey of 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride?
The InChIKey is HCEZUWWLVGLORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c15-10-12-9(7-1-2-7)13-14(10)8-3-5-11-6-4-8;/h7-8,11H,1-6H2,(H,12,13,15);1H.
What are the key properties of 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride?
5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride is sourced from PubChem (CID 139026889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).