3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide

C10H15FN4O — CID 126770697

IUPAC3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide
SMILESCCn1nncc1C(=O)NC1CCC(F)C1
InChIInChI=1S/C10H15FN4O/c1-2-15-9(6-12-14-15)10(16)13-8-4-3-7(11)5-8/h6-8H,2-5H2,1H3,(H,13,16)
InChIKeyGOJIOJSWITUMDU-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.92
Rot. Bonds3

About 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide

3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide (PubChem CID 126770697) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide
PubChem CID126770697
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide
SMILESCCn1nncc1C(=O)NC1CCC(F)C1
InChIInChI=1S/C10H15FN4O/c1-2-15-9(6-12-14-15)10(16)13-8-4-3-7(11)5-8/h6-8H,2-5H2,1H3,(H,13,16)
InChIKeyGOJIOJSWITUMDU-UHFFFAOYSA-N
XLogP0.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide (CID 126770697) is 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide is CCn1nncc1C(=O)NC1CCC(F)C1.
What is the InChIKey of 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide?
The InChIKey is GOJIOJSWITUMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-2-15-9(6-12-14-15)10(16)13-8-4-3-7(11)5-8/h6-8H,2-5H2,1H3,(H,13,16).
What are the key properties of 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide?
3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-fluorocyclopentyl)triazole-4-carboxamide is sourced from PubChem (CID 126770697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).