1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide

C16H19FN4O2 — CID 42950505

IUPAC1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCCC2CCCO2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O2/c1-11-19-15(16(22)18-9-8-14-3-2-10-23-14)20-21(11)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,18,22)
InChIKeyHFQKUGJSFSFJMQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.01
Rot. Bonds5

About 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 42950505) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide
PubChem CID42950505
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCCC2CCCO2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O2/c1-11-19-15(16(22)18-9-8-14-3-2-10-23-14)20-21(11)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,18,22)
InChIKeyHFQKUGJSFSFJMQ-UHFFFAOYSA-N
XLogP2.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide (CID 42950505) is 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCCC2CCCO2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is HFQKUGJSFSFJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-11-19-15(16(22)18-9-8-14-3-2-10-23-14)20-21(11)13-6-4-12(17)5-7-13/h4-7,14H,2-3,8-10H2,1H3,(H,18,22).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42950505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).