3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride

C10H17ClN4 — CID 50988054

IUPAC3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride
SMILESC1CNCC(c2nnc3n2CCC3)C1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-3-8(7-11-5-1)10-13-12-9-4-2-6-14(9)10;/h8,11H,1-7H2;1H
InChIKeyXDDXARQEXRBUHS-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.11
Rot. Bonds1

About 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride

3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride (PubChem CID 50988054) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride
PubChem CID50988054
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride
SMILESC1CNCC(c2nnc3n2CCC3)C1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-3-8(7-11-5-1)10-13-12-9-4-2-6-14(9)10;/h8,11H,1-7H2;1H
InChIKeyXDDXARQEXRBUHS-UHFFFAOYSA-N
XLogP1.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride (CID 50988054) is 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride is C1CNCC(c2nnc3n2CCC3)C1.Cl.
What is the InChIKey of 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride?
The InChIKey is XDDXARQEXRBUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.ClH/c1-3-8(7-11-5-1)10-13-12-9-4-2-6-14(9)10;/h8,11H,1-7H2;1H.
What are the key properties of 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride?
3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride is sourced from PubChem (CID 50988054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).