N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide

C11H16N4O2 — CID 83235867

IUPACN-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NOC1CCCC1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N4O2/c16-11(15-17-8-3-1-2-4-8)10-12-9(13-14-10)7-5-6-7/h7-8H,1-6H2,(H,15,16)(H,12,13,14)
InChIKeyVAQDQEBVKPUXDN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.29
Rot. Bonds4

About N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide

N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 83235867) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID83235867
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NOC1CCCC1)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N4O2/c16-11(15-17-8-3-1-2-4-8)10-12-9(13-14-10)7-5-6-7/h7-8H,1-6H2,(H,15,16)(H,12,13,14)
InChIKeyVAQDQEBVKPUXDN-UHFFFAOYSA-N
XLogP1.29
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide (CID 83235867) is N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide is O=C(NOC1CCCC1)c1n[nH]c(C2CC2)n1.
What is the InChIKey of N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VAQDQEBVKPUXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-11(15-17-8-3-1-2-4-8)10-12-9(13-14-10)7-5-6-7/h7-8H,1-6H2,(H,15,16)(H,12,13,14).
What are the key properties of N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 83235867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).