(4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C17H20F2N4O2 — CID 97390850

IUPAC(4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCCn1nnc2c1CCN(C(=O)c1cc(F)c(F)cc1C)[C@H]2COC
InChIInChI=1S/C17H20F2N4O2/c1-4-23-14-5-6-22(15(9-25-3)16(14)20-21-23)17(24)11-8-13(19)12(18)7-10(11)2/h7-8,15H,4-6,9H2,1-3H3/t15-/m0/s1
InChIKeyGUZIZMAYAHOFIT-HNNXBMFYSA-N
MW350.37 g/mol
LogP2.27
Rot. Bonds4

About (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

(4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 97390850) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID97390850
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name(4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCCn1nnc2c1CCN(C(=O)c1cc(F)c(F)cc1C)[C@H]2COC
InChIInChI=1S/C17H20F2N4O2/c1-4-23-14-5-6-22(15(9-25-3)16(14)20-21-23)17(24)11-8-13(19)12(18)7-10(11)2/h7-8,15H,4-6,9H2,1-3H3/t15-/m0/s1
InChIKeyGUZIZMAYAHOFIT-HNNXBMFYSA-N
XLogP2.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 97390850) is (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is CCn1nnc2c1CCN(C(=O)c1cc(F)c(F)cc1C)[C@H]2COC.
What is the InChIKey of (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is GUZIZMAYAHOFIT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-4-23-14-5-6-22(15(9-25-3)16(14)20-21-23)17(24)11-8-13(19)12(18)7-10(11)2/h7-8,15H,4-6,9H2,1-3H3/t15-/m0/s1.
What are the key properties of (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 350.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 97390850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).