2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol

C12H18N4OS — CID 111112356

IUPAC2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol
SMILESCc1nc2nc(SCC(C)(C)O)nn2c(C)c1C
InChIInChI=1S/C12H18N4OS/c1-7-8(2)13-10-14-11(15-16(10)9(7)3)18-6-12(4,5)17/h17H,6H2,1-5H3
InChIKeyUCZVGPPIZAPUIV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol

2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol (PubChem CID 111112356) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol
PubChem CID111112356
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol
SMILESCc1nc2nc(SCC(C)(C)O)nn2c(C)c1C
InChIInChI=1S/C12H18N4OS/c1-7-8(2)13-10-14-11(15-16(10)9(7)3)18-6-12(4,5)17/h17H,6H2,1-5H3
InChIKeyUCZVGPPIZAPUIV-UHFFFAOYSA-N
XLogP1.91
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol (CID 111112356) is 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol is Cc1nc2nc(SCC(C)(C)O)nn2c(C)c1C.
What is the InChIKey of 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol?
The InChIKey is UCZVGPPIZAPUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-7-8(2)13-10-14-11(15-16(10)9(7)3)18-6-12(4,5)17/h17H,6H2,1-5H3.
What are the key properties of 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol?
2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol has a molecular weight of 266.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 111112356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).