3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine

C8H11N5S — CID 43955287

IUPAC3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine
SMILESCCCSc1ncnc2c1nnn2C
InChIInChI=1S/C8H11N5S/c1-3-4-14-8-6-7(9-5-10-8)13(2)12-11-6/h5H,3-4H2,1-2H3
InChIKeyMAEIBSYSSCOGLE-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.26
Rot. Bonds3

About 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine

3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine (PubChem CID 43955287) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine
PubChem CID43955287
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine
SMILESCCCSc1ncnc2c1nnn2C
InChIInChI=1S/C8H11N5S/c1-3-4-14-8-6-7(9-5-10-8)13(2)12-11-6/h5H,3-4H2,1-2H3
InChIKeyMAEIBSYSSCOGLE-UHFFFAOYSA-N
XLogP1.26
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
CID 43955079
N-[(4-methylphenyl)methyl]-2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
CID 43955116
3-methyl-7-[(3-nitrophenyl)methylsulfanyl]triazolo[4,5-d]pyrimidine
CID 43955309
2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43955094
N-(furan-2-ylmethyl)-2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
CID 43955111
N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688192
N-(1,3-benzodioxol-5-yl)-2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
CID 43955090
2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1,3-benzoxazole
CID 7126225
3-ethyl-7-(naphthalen-1-ylmethylsulfanyl)triazolo[4,5-d]pyrimidine
CID 43955337
3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine
CID 7688194
1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
CID 83833760

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine (CID 43955287) is 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine is CCCSc1ncnc2c1nnn2C.
What is the InChIKey of 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine?
The InChIKey is MAEIBSYSSCOGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-4-14-8-6-7(9-5-10-8)13(2)12-11-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine?
3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine has a molecular weight of 209.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 43955287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).