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

C10H12ClN7S — CID 104603389

IUPAC2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCn1ncnc1Sc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H12ClN7S/c1-17-10(12-6-13-17)19-9-15-7(11)14-8(16-9)18-4-2-3-5-18/h6H,2-5H2,1H3
InChIKeyOJYYTUWGVOAZNE-UHFFFAOYSA-N
MW297.78 g/mol
LogP1.40
Rot. Bonds3

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

2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 104603389) has the molecular formula C10H12ClN7S and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID104603389
Molecular FormulaC10H12ClN7S
Molecular Weight297.78 g/mol
Exact Mass297.06
IUPAC Name2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCn1ncnc1Sc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H12ClN7S/c1-17-10(12-6-13-17)19-9-15-7(11)14-8(16-9)18-4-2-3-5-18/h6H,2-5H2,1H3
InChIKeyOJYYTUWGVOAZNE-UHFFFAOYSA-N
XLogP1.40
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604953
2-chloro-4-(2-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
CID 62867554
2-chloro-4-(4-fluorophenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865441
2-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazine
CID 62866344
2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865626
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
2-chloro-4-(2-methylpropylsulfanyl)-6-piperidin-1-yl-1,3,5-triazine
CID 62868055
2-chloro-4-(2-methylbutylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 107751243
3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 66136130
2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 62867380
methyl 3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoate
CID 62867902
4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine
CID 62865788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine (CID 104603389) is 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine is Cn1ncnc1Sc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is OJYYTUWGVOAZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7S/c1-17-10(12-6-13-17)19-9-15-7(11)14-8(16-9)18-4-2-3-5-18/h6H,2-5H2,1H3.
What are the key properties of 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 297.78 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 104603389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).