4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide

C11H17N5O — CID 113412805

IUPAC4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCCn2ccnn2)C1
InChIInChI=1S/C11H17N5O/c12-10-3-2-9(8-10)11(17)13-4-1-6-16-7-5-14-15-16/h2-3,5,7,9-10H,1,4,6,8,12H2,(H,13,17)
InChIKeyNXCXAOATUYCTPA-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.31
Rot. Bonds5

About 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide (PubChem CID 113412805) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide
PubChem CID113412805
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCCn2ccnn2)C1
InChIInChI=1S/C11H17N5O/c12-10-3-2-9(8-10)11(17)13-4-1-6-16-7-5-14-15-16/h2-3,5,7,9-10H,1,4,6,8,12H2,(H,13,17)
InChIKeyNXCXAOATUYCTPA-UHFFFAOYSA-N
XLogP-0.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide (CID 113412805) is 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCCCn2ccnn2)C1.
What is the InChIKey of 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is NXCXAOATUYCTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-10-3-2-9(8-10)11(17)13-4-1-6-16-7-5-14-15-16/h2-3,5,7,9-10H,1,4,6,8,12H2,(H,13,17).
What are the key properties of 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 113412805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).