1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C11H16ClN5OS — CID 106248479

IUPAC1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H16ClN5OS/c1-7-8(12)16-10-14-6-15-17(10)9(7)13-4-11(2,18)5-19-3/h6,13,18H,4-5H2,1-3H3
InChIKeyRZROWBUHPMVQIJ-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.61
Rot. Bonds5

About 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106248479) has the molecular formula C11H16ClN5OS and a molecular weight of 301.80 g/mol. Its IUPAC name is 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106248479
Molecular FormulaC11H16ClN5OS
Molecular Weight301.80 g/mol
Exact Mass301.08
IUPAC Name1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H16ClN5OS/c1-7-8(12)16-10-14-6-15-17(10)9(7)13-4-11(2,18)5-19-3/h6,13,18H,4-5H2,1-3H3
InChIKeyRZROWBUHPMVQIJ-UHFFFAOYSA-N
XLogP1.61
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106248479) is 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is RZROWBUHPMVQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5OS/c1-7-8(12)16-10-14-6-15-17(10)9(7)13-4-11(2,18)5-19-3/h6,13,18H,4-5H2,1-3H3.
What are the key properties of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 301.80 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106248479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).