N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide

C11H12FN5O2 — CID 166878528

IUPACN-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide
SMILESCC(NC=O)c1ncnn1-c1ccc(OCF)cn1
InChIInChI=1S/C11H12FN5O2/c1-8(15-7-18)11-14-6-16-17(11)10-3-2-9(4-13-10)19-5-12/h2-4,6-8H,5H2,1H3,(H,15,18)
InChIKeySFPWUCHBRVSELF-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.78
Rot. Bonds6

About N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide

N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide (PubChem CID 166878528) has the molecular formula C11H12FN5O2 and a molecular weight of 265.25 g/mol. Its IUPAC name is N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide
PubChem CID166878528
Molecular FormulaC11H12FN5O2
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC NameN-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide
SMILESCC(NC=O)c1ncnn1-c1ccc(OCF)cn1
InChIInChI=1S/C11H12FN5O2/c1-8(15-7-18)11-14-6-16-17(11)10-3-2-9(4-13-10)19-5-12/h2-4,6-8H,5H2,1H3,(H,15,18)
InChIKeySFPWUCHBRVSELF-UHFFFAOYSA-N
XLogP0.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide?
The IUPAC name of N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide (CID 166878528) is N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide.
What is the SMILES notation for N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide?
The canonical SMILES for N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide is CC(NC=O)c1ncnn1-c1ccc(OCF)cn1.
What is the InChIKey of N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide?
The InChIKey is SFPWUCHBRVSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2/c1-8(15-7-18)11-14-6-16-17(11)10-3-2-9(4-13-10)19-5-12/h2-4,6-8H,5H2,1H3,(H,15,18).
What are the key properties of N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide?
N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide has a molecular weight of 265.25 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[5-(fluoromethoxy)-2-pyridinyl]-1,2,4-triazol-3-yl]ethyl]formamide is sourced from PubChem (CID 166878528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).