N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine

C15H27N5 — CID 43748186

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC(NC1CC(C)N(C)CC1C)c1nnc2n1CCC2
InChIInChI=1S/C15H27N5/c1-10-9-19(4)11(2)8-13(10)16-12(3)15-18-17-14-6-5-7-20(14)15/h10-13,16H,5-9H2,1-4H3
InChIKeyOMSLOTAGZOWQSV-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.60
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43748186) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID43748186
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC(NC1CC(C)N(C)CC1C)c1nnc2n1CCC2
InChIInChI=1S/C15H27N5/c1-10-9-19(4)11(2)8-13(10)16-12(3)15-18-17-14-6-5-7-20(14)15/h10-13,16H,5-9H2,1-4H3
InChIKeyOMSLOTAGZOWQSV-UHFFFAOYSA-N
XLogP1.60
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine (CID 43748186) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine is CC(NC1CC(C)N(C)CC1C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is OMSLOTAGZOWQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-10-9-19(4)11(2)8-13(10)16-12(3)15-18-17-14-6-5-7-20(14)15/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43748186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).