N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C16H26N6O — CID 71893454

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCc1nnc2n1CCC2)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H26N6O/c23-16(17-11-15-19-18-14-6-4-10-22(14)15)21-9-3-5-13(12-21)20-7-1-2-8-20/h13H,1-12H2,(H,17,23)
InChIKeyGBYGTHRXHTTYJD-UHFFFAOYSA-N
MW318.43 g/mol
LogP0.99
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 71893454) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID71893454
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCc1nnc2n1CCC2)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H26N6O/c23-16(17-11-15-19-18-14-6-4-10-22(14)15)21-9-3-5-13(12-21)20-7-1-2-8-20/h13H,1-12H2,(H,17,23)
InChIKeyGBYGTHRXHTTYJD-UHFFFAOYSA-N
XLogP0.99
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 71893454) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C(NCc1nnc2n1CCC2)N1CCCC(N2CCCC2)C1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is GBYGTHRXHTTYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c23-16(17-11-15-19-18-14-6-4-10-22(14)15)21-9-3-5-13(12-21)20-7-1-2-8-20/h13H,1-12H2,(H,17,23).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71893454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).