2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

C12H10ClN7S — CID 102925195

IUPAC2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESCc1cc(C)nc(Sc2nc(Cl)nc(-n3cncn3)n2)c1
InChIInChI=1S/C12H10ClN7S/c1-7-3-8(2)16-9(4-7)21-12-18-10(13)17-11(19-12)20-6-14-5-15-20/h3-6H,1-2H3
InChIKeyLZUARRDKKCSTRY-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.27
Rot. Bonds3

About 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 102925195) has the molecular formula C12H10ClN7S and a molecular weight of 319.78 g/mol. Its IUPAC name is 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID102925195
Molecular FormulaC12H10ClN7S
Molecular Weight319.78 g/mol
Exact Mass319.04
IUPAC Name2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESCc1cc(C)nc(Sc2nc(Cl)nc(-n3cncn3)n2)c1
InChIInChI=1S/C12H10ClN7S/c1-7-3-8(2)16-9(4-7)21-12-18-10(13)17-11(19-12)20-6-14-5-15-20/h3-6H,1-2H3
InChIKeyLZUARRDKKCSTRY-UHFFFAOYSA-N
XLogP2.27
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62866348
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62867733
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole
CID 55124967
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 107780778
4-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869350
[4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80925315
4-chloro-N-(2-methylsulfanylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63959659
N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80882673
4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62865224
4-chloro-N-(2-methylsulfanylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113466848
4-chloro-N-ethyl-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868704
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106192337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 102925195) is 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is Cc1cc(C)nc(Sc2nc(Cl)nc(-n3cncn3)n2)c1.
What is the InChIKey of 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is LZUARRDKKCSTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN7S/c1-7-3-8(2)16-9(4-7)21-12-18-10(13)17-11(19-12)20-6-14-5-15-20/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine has a molecular weight of 319.78 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 102925195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).