3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C15H17FN4O2 — CID 71836695

IUPAC3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2nnc3n2CCCC3)cc1F
InChIInChI=1S/C15H17FN4O2/c1-22-12-6-5-10(8-11(12)16)15(21)17-9-14-19-18-13-4-2-3-7-20(13)14/h5-6,8H,2-4,7,9H2,1H3,(H,17,21)
InChIKeyCLTBNAGVJFTTLY-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.69
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 71836695) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID71836695
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2nnc3n2CCCC3)cc1F
InChIInChI=1S/C15H17FN4O2/c1-22-12-6-5-10(8-11(12)16)15(21)17-9-14-19-18-13-4-2-3-7-20(13)14/h5-6,8H,2-4,7,9H2,1H3,(H,17,21)
InChIKeyCLTBNAGVJFTTLY-UHFFFAOYSA-N
XLogP1.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 71836695) is 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is COc1ccc(C(=O)NCc2nnc3n2CCCC3)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is CLTBNAGVJFTTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-22-12-6-5-10(8-11(12)16)15(21)17-9-14-19-18-13-4-2-3-7-20(13)14/h5-6,8H,2-4,7,9H2,1H3,(H,17,21).
What are the key properties of 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 304.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 71836695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).