2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide

C7H11FN4O — CID 91600834

IUPAC2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
SMILESCCn1ncnc1C(=O)NCCF
InChIInChI=1S/C7H11FN4O/c1-2-12-6(10-5-11-12)7(13)9-4-3-8/h5H,2-4H2,1H3,(H,9,13)
InChIKeyDLLCMWGSEAUTMP-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.00
Rot. Bonds4

About 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide

2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 91600834) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
PubChem CID91600834
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
SMILESCCn1ncnc1C(=O)NCCF
InChIInChI=1S/C7H11FN4O/c1-2-12-6(10-5-11-12)7(13)9-4-3-8/h5H,2-4H2,1H3,(H,9,13)
InChIKeyDLLCMWGSEAUTMP-UHFFFAOYSA-N
XLogP-0.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide (CID 91600834) is 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide is CCn1ncnc1C(=O)NCCF.
What is the InChIKey of 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is DLLCMWGSEAUTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-2-12-6(10-5-11-12)7(13)9-4-3-8/h5H,2-4H2,1H3,(H,9,13).
What are the key properties of 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide?
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 186.19 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 91600834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).