4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide

C13H22N6O — CID 43791515

IUPAC4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide
SMILESCC(NC1CCN(C(N)=O)CC1)c1nnc2n1CCC2
InChIInChI=1S/C13H22N6O/c1-9(12-17-16-11-3-2-6-19(11)12)15-10-4-7-18(8-5-10)13(14)20/h9-10,15H,2-8H2,1H3,(H2,14,20)
InChIKeyPMFIYMOEBSGLEW-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.42
Rot. Bonds3

About 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide

4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide (PubChem CID 43791515) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide
PubChem CID43791515
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide
SMILESCC(NC1CCN(C(N)=O)CC1)c1nnc2n1CCC2
InChIInChI=1S/C13H22N6O/c1-9(12-17-16-11-3-2-6-19(11)12)15-10-4-7-18(8-5-10)13(14)20/h9-10,15H,2-8H2,1H3,(H2,14,20)
InChIKeyPMFIYMOEBSGLEW-UHFFFAOYSA-N
XLogP0.42
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide (CID 43791515) is 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide is CC(NC1CCN(C(N)=O)CC1)c1nnc2n1CCC2.
What is the InChIKey of 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide?
The InChIKey is PMFIYMOEBSGLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-9(12-17-16-11-3-2-6-19(11)12)15-10-4-7-18(8-5-10)13(14)20/h9-10,15H,2-8H2,1H3,(H2,14,20).
What are the key properties of 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide?
4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]piperidine-1-carboxamide is sourced from PubChem (CID 43791515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).