3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one

C10H11Cl2N5OS — CID 102761476

IUPAC3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCNc1nc(Sc2n[nH]c(=O)n2C)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N5OS/c1-3-13-7-5(11)4-6(12)8(14-7)19-10-16-15-9(18)17(10)2/h4H,3H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyNNSINBCMWZDHJT-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.39
Rot. Bonds4

About 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one

3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 102761476) has the molecular formula C10H11Cl2N5OS and a molecular weight of 320.21 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID102761476
Molecular FormulaC10H11Cl2N5OS
Molecular Weight320.21 g/mol
Exact Mass319.01
IUPAC Name3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCNc1nc(Sc2n[nH]c(=O)n2C)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N5OS/c1-3-13-7-5(11)4-6(12)8(14-7)19-10-16-15-9(18)17(10)2/h4H,3H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyNNSINBCMWZDHJT-UHFFFAOYSA-N
XLogP2.39
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-propyl-3-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-5-one
CID 102752352
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761278
3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80882976
3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892539
3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 103334802
3,5-dichloro-6-(3,4-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761248
4-propan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-5-one
CID 102752353
3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761292
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520
3-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114566815
3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102720320
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one (CID 102761476) is 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one is CCNc1nc(Sc2n[nH]c(=O)n2C)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is NNSINBCMWZDHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5OS/c1-3-13-7-5(11)4-6(12)8(14-7)19-10-16-15-9(18)17(10)2/h4H,3H2,1-2H3,(H,13,14)(H,15,18).
What are the key properties of 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 320.21 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 102761476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).