[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide

C10H8Cl2F2N5O3S- — CID 171985106

IUPAC[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide
SMILESCc1nn(-c2nc([N-]S(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C10H8Cl2F2N5O3S/c1-4-16-19(10(20)18(4)9(13)14)8-6(12)3-5(11)7(15-8)17-23(2,21)22/h3,9H,1-2H3/q-1
InChIKeyUJKHQPGPDZTGST-UHFFFAOYSA-N
MW387.18 g/mol
LogP2.40
Rot. Bonds4

About [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide

[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide (PubChem CID 171985106) has the molecular formula C10H8Cl2F2N5O3S- and a molecular weight of 387.18 g/mol. Its IUPAC name is [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide.

Molecular Properties

Compound Name[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide
PubChem CID171985106
Molecular FormulaC10H8Cl2F2N5O3S-
Molecular Weight387.18 g/mol
Exact Mass385.97
IUPAC Name[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide
SMILESCc1nn(-c2nc([N-]S(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C10H8Cl2F2N5O3S/c1-4-16-19(10(20)18(4)9(13)14)8-6(12)3-5(11)7(15-8)17-23(2,21)22/h3,9H,1-2H3/q-1
InChIKeyUJKHQPGPDZTGST-UHFFFAOYSA-N
XLogP2.40
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide?
The IUPAC name of [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide (CID 171985106) is [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide.
What is the SMILES notation for [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide?
The canonical SMILES for [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide is Cc1nn(-c2nc([N-]S(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.
What is the InChIKey of [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide?
The InChIKey is UJKHQPGPDZTGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2N5O3S/c1-4-16-19(10(20)18(4)9(13)14)8-6(12)3-5(11)7(15-8)17-23(2,21)22/h3,9H,1-2H3/q-1.
What are the key properties of [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide?
[3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide has a molecular weight of 387.18 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-6-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pyridinyl]-methylsulfonylazanide is sourced from PubChem (CID 171985106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).