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

C13H22N4 — CID 62071570

IUPACN-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESCC(NCC1CCCC1)c1nnc2n1CCC2
InChIInChI=1S/C13H22N4/c1-10(14-9-11-5-2-3-6-11)13-16-15-12-7-4-8-17(12)13/h10-11,14H,2-9H2,1H3
InChIKeyKTFAPUDXXAFKBL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.07
Rot. Bonds4

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

N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (PubChem CID 62071570) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
PubChem CID62071570
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESCC(NCC1CCCC1)c1nnc2n1CCC2
InChIInChI=1S/C13H22N4/c1-10(14-9-11-5-2-3-6-11)13-16-15-12-7-4-8-17(12)13/h10-11,14H,2-9H2,1H3
InChIKeyKTFAPUDXXAFKBL-UHFFFAOYSA-N
XLogP2.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (CID 62071570) is N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is CC(NCC1CCCC1)c1nnc2n1CCC2.
What is the InChIKey of N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The InChIKey is KTFAPUDXXAFKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(14-9-11-5-2-3-6-11)13-16-15-12-7-4-8-17(12)13/h10-11,14H,2-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine has a molecular weight of 234.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is sourced from PubChem (CID 62071570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).