N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide

C11H18N4O — CID 51079283

IUPACN-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCCn1cncn1)C1CCCC1
InChIInChI=1S/C11H18N4O/c16-11(10-4-1-2-5-10)13-6-3-7-15-9-12-8-14-15/h8-10H,1-7H2,(H,13,16)
InChIKeySFSJMOVPANBMIW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.97
Rot. Bonds5

About N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide

N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide (PubChem CID 51079283) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide
PubChem CID51079283
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCCn1cncn1)C1CCCC1
InChIInChI=1S/C11H18N4O/c16-11(10-4-1-2-5-10)13-6-3-7-15-9-12-8-14-15/h8-10H,1-7H2,(H,13,16)
InChIKeySFSJMOVPANBMIW-UHFFFAOYSA-N
XLogP0.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide (CID 51079283) is N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide is O=C(NCCCn1cncn1)C1CCCC1.
What is the InChIKey of N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide?
The InChIKey is SFSJMOVPANBMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(10-4-1-2-5-10)13-6-3-7-15-9-12-8-14-15/h8-10H,1-7H2,(H,13,16).
What are the key properties of N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide?
N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 51079283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).