2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide

C15H15FN6O — CID 138589575

IUPAC2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)C(C)(C)F)cc3c2)nn1
InChIInChI=1S/C15H15FN6O/c1-15(2,16)14(23)17-13-7-10-6-9(4-5-11(10)18-20-13)12-8-22(3)21-19-12/h4-8H,1-3H3,(H,17,20,23)
InChIKeyCZMOTHDROQYRNL-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.11
Rot. Bonds3

About 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide

2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide (PubChem CID 138589575) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide
PubChem CID138589575
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)C(C)(C)F)cc3c2)nn1
InChIInChI=1S/C15H15FN6O/c1-15(2,16)14(23)17-13-7-10-6-9(4-5-11(10)18-20-13)12-8-22(3)21-19-12/h4-8H,1-3H3,(H,17,20,23)
InChIKeyCZMOTHDROQYRNL-UHFFFAOYSA-N
XLogP2.11
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide (CID 138589575) is 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide is Cn1cc(-c2ccc3nnc(NC(=O)C(C)(C)F)cc3c2)nn1.
What is the InChIKey of 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide?
The InChIKey is CZMOTHDROQYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-15(2,16)14(23)17-13-7-10-6-9(4-5-11(10)18-20-13)12-8-22(3)21-19-12/h4-8H,1-3H3,(H,17,20,23).
What are the key properties of 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide?
2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide has a molecular weight of 314.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide is sourced from PubChem (CID 138589575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).