2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine

C10H13N5S2 — CID 2145071

IUPAC2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine
SMILESCCSc1nnc(CSc2ncccn2)n1C
InChIInChI=1S/C10H13N5S2/c1-3-16-10-14-13-8(15(10)2)7-17-9-11-5-4-6-12-9/h4-6H,3,7H2,1-2H3
InChIKeyREUFOXZMBNVMQA-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.01
Rot. Bonds5

About 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine

2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine (PubChem CID 2145071) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine
PubChem CID2145071
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC Name2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine
SMILESCCSc1nnc(CSc2ncccn2)n1C
InChIInChI=1S/C10H13N5S2/c1-3-16-10-14-13-8(15(10)2)7-17-9-11-5-4-6-12-9/h4-6H,3,7H2,1-2H3
InChIKeyREUFOXZMBNVMQA-UHFFFAOYSA-N
XLogP2.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine?
The IUPAC name of 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine (CID 2145071) is 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine?
The canonical SMILES for 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine is CCSc1nnc(CSc2ncccn2)n1C.
What is the InChIKey of 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine?
The InChIKey is REUFOXZMBNVMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-3-16-10-14-13-8(15(10)2)7-17-9-11-5-4-6-12-9/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine?
2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine has a molecular weight of 267.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 2145071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).