1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide

C10H17N5O2 — CID 83235479

IUPAC1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
SMILESNCCn1cc(C(=O)NOC2CCCC2)nn1
InChIInChI=1S/C10H17N5O2/c11-5-6-15-7-9(12-14-15)10(16)13-17-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,13,16)
InChIKeyLKTWPUFVXTUUBD-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.16
Rot. Bonds5

About 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide

1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide (PubChem CID 83235479) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
PubChem CID83235479
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
SMILESNCCn1cc(C(=O)NOC2CCCC2)nn1
InChIInChI=1S/C10H17N5O2/c11-5-6-15-7-9(12-14-15)10(16)13-17-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,13,16)
InChIKeyLKTWPUFVXTUUBD-UHFFFAOYSA-N
XLogP-0.16
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide (CID 83235479) is 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide is NCCn1cc(C(=O)NOC2CCCC2)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide?
The InChIKey is LKTWPUFVXTUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-5-6-15-7-9(12-14-15)10(16)13-17-8-3-1-2-4-8/h7-8H,1-6,11H2,(H,13,16).
What are the key properties of 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide?
1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide is sourced from PubChem (CID 83235479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).