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

C10H16N4 — CID 43142797

IUPAC3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESC1Cc2nnc(C3CCNCC3)n2C1
InChIInChI=1S/C10H16N4/c1-2-9-12-13-10(14(9)7-1)8-3-5-11-6-4-8/h8,11H,1-7H2
InChIKeyKFGHIVUUNGDEIR-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.69
Rot. Bonds1

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

3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 43142797) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID43142797
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESC1Cc2nnc(C3CCNCC3)n2C1
InChIInChI=1S/C10H16N4/c1-2-9-12-13-10(14(9)7-1)8-3-5-11-6-4-8/h8,11H,1-7H2
InChIKeyKFGHIVUUNGDEIR-UHFFFAOYSA-N
XLogP0.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 43142797) is 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is C1Cc2nnc(C3CCNCC3)n2C1.
What is the InChIKey of 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is KFGHIVUUNGDEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-9-12-13-10(14(9)7-1)8-3-5-11-6-4-8/h8,11H,1-7H2.
What are the key properties of 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 192.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 43142797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).