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

C14H24N4 — CID 55097010

IUPAC1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CCCC1)c1nnc2n1CCC2
InChIInChI=1S/C14H24N4/c1-10(12-6-3-4-7-12)15-11(2)14-17-16-13-8-5-9-18(13)14/h10-12,15H,3-9H2,1-2H3
InChIKeyNEYLXXBWIOKZSP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds4

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

1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine (PubChem CID 55097010) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
PubChem CID55097010
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CCCC1)c1nnc2n1CCC2
InChIInChI=1S/C14H24N4/c1-10(12-6-3-4-7-12)15-11(2)14-17-16-13-8-5-9-18(13)14/h10-12,15H,3-9H2,1-2H3
InChIKeyNEYLXXBWIOKZSP-UHFFFAOYSA-N
XLogP2.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine (CID 55097010) is 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine is CC(NC(C)C1CCCC1)c1nnc2n1CCC2.
What is the InChIKey of 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine?
The InChIKey is NEYLXXBWIOKZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(12-6-3-4-7-12)15-11(2)14-17-16-13-8-5-9-18(13)14/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine?
1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 55097010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).