5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

C18H16ClF3N6O — CID 138471784

IUPAC5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESC[C@H](c1ccc(F)cc1C(F)F)n1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H16ClF3N6O/c1-9(11-3-2-10(20)6-12(11)17(21)22)28-14-4-5-27(8-13(14)24-26-28)15-7-23-25-18(29)16(15)19/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,25,29)/t9-/m1/s1
InChIKeyWUOOTTICSYKMSJ-SECBINFHSA-N
MW424.81 g/mol
LogP3.26
Rot. Bonds4

About 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 138471784) has the molecular formula C18H16ClF3N6O and a molecular weight of 424.81 g/mol. Its IUPAC name is 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID138471784
Molecular FormulaC18H16ClF3N6O
Molecular Weight424.81 g/mol
Exact Mass424.10
IUPAC Name5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESC[C@H](c1ccc(F)cc1C(F)F)n1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H16ClF3N6O/c1-9(11-3-2-10(20)6-12(11)17(21)22)28-14-4-5-27(8-13(14)24-26-28)15-7-23-25-18(29)16(15)19/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,25,29)/t9-/m1/s1
InChIKeyWUOOTTICSYKMSJ-SECBINFHSA-N
XLogP3.26
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 138471784) is 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is C[C@H](c1ccc(F)cc1C(F)F)n1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is WUOOTTICSYKMSJ-SECBINFHSA-N. The full InChI is InChI=1S/C18H16ClF3N6O/c1-9(11-3-2-10(20)6-12(11)17(21)22)28-14-4-5-27(8-13(14)24-26-28)15-7-23-25-18(29)16(15)19/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,25,29)/t9-/m1/s1.
What are the key properties of 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 424.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[(1R)-1-[2-(difluoromethyl)-4-fluorophenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).