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

C13H23N5O — CID 43698125

IUPAC6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1nnc2n1CCC2
InChIInChI=1S/C13H23N5O/c1-10(15-12(19)7-3-2-4-8-14)13-17-16-11-6-5-9-18(11)13/h10H,2-9,14H2,1H3,(H,15,19)
InChIKeyADYXZFJDKUTKPA-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.92
Rot. Bonds7

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

6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide (PubChem CID 43698125) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide
PubChem CID43698125
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1nnc2n1CCC2
InChIInChI=1S/C13H23N5O/c1-10(15-12(19)7-3-2-4-8-14)13-17-16-11-6-5-9-18(11)13/h10H,2-9,14H2,1H3,(H,15,19)
InChIKeyADYXZFJDKUTKPA-UHFFFAOYSA-N
XLogP0.92
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide (CID 43698125) is 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide is CC(NC(=O)CCCCCN)c1nnc2n1CCC2.
What is the InChIKey of 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide?
The InChIKey is ADYXZFJDKUTKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(15-12(19)7-3-2-4-8-14)13-17-16-11-6-5-9-18(11)13/h10H,2-9,14H2,1H3,(H,15,19).
What are the key properties of 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide?
6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide has a molecular weight of 265.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 43698125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).