1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole

C16H15N5S2 — CID 1484449

IUPAC1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole
SMILESCSc1nnc(-c2cc3c(-c4ccccc4)nn(C)c3s2)n1C
InChIInChI=1S/C16H15N5S2/c1-20-14(17-18-16(20)22-3)12-9-11-13(10-7-5-4-6-8-10)19-21(2)15(11)23-12/h4-9H,1-3H3
InChIKeyXMZXFBNWTRFDHM-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.82
Rot. Bonds3

About 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole

1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole (PubChem CID 1484449) has the molecular formula C16H15N5S2 and a molecular weight of 341.47 g/mol. Its IUPAC name is 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole.

Molecular Properties

Compound Name1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole
PubChem CID1484449
Molecular FormulaC16H15N5S2
Molecular Weight341.47 g/mol
Exact Mass341.08
IUPAC Name1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole
SMILESCSc1nnc(-c2cc3c(-c4ccccc4)nn(C)c3s2)n1C
InChIInChI=1S/C16H15N5S2/c1-20-14(17-18-16(20)22-3)12-9-11-13(10-7-5-4-6-8-10)19-21(2)15(11)23-12/h4-9H,1-3H3
InChIKeyXMZXFBNWTRFDHM-UHFFFAOYSA-N
XLogP3.82
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole?
The IUPAC name of 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole (CID 1484449) is 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole.
What is the SMILES notation for 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole?
The canonical SMILES for 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole is CSc1nnc(-c2cc3c(-c4ccccc4)nn(C)c3s2)n1C.
What is the InChIKey of 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole?
The InChIKey is XMZXFBNWTRFDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S2/c1-20-14(17-18-16(20)22-3)12-9-11-13(10-7-5-4-6-8-10)19-21(2)15(11)23-12/h4-9H,1-3H3.
What are the key properties of 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole?
1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole has a molecular weight of 341.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-phenylthieno[3,2-d]pyrazole is sourced from PubChem (CID 1484449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).