6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

C15H22N6O3S — CID 22268920

IUPAC6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
SMILESCCCSc1nc(N)c2nnn(C3CC(O)C4OC(C)(C)OC43)c2n1
InChIInChI=1S/C15H22N6O3S/c1-4-5-25-14-17-12(16)9-13(18-14)21(20-19-9)7-6-8(22)11-10(7)23-15(2,3)24-11/h7-8,10-11,22H,4-6H2,1-3H3,(H2,16,17,18)
InChIKeyMEAKZSRBVPDQQS-UHFFFAOYSA-N
MW366.45 g/mol
LogP1.13
Rot. Bonds4

About 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol (PubChem CID 22268920) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
PubChem CID22268920
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
SMILESCCCSc1nc(N)c2nnn(C3CC(O)C4OC(C)(C)OC43)c2n1
InChIInChI=1S/C15H22N6O3S/c1-4-5-25-14-17-12(16)9-13(18-14)21(20-19-9)7-6-8(22)11-10(7)23-15(2,3)24-11/h7-8,10-11,22H,4-6H2,1-3H3,(H2,16,17,18)
InChIKeyMEAKZSRBVPDQQS-UHFFFAOYSA-N
XLogP1.13
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol?
The IUPAC name of 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol (CID 22268920) is 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol.
What is the SMILES notation for 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol?
The canonical SMILES for 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol is CCCSc1nc(N)c2nnn(C3CC(O)C4OC(C)(C)OC43)c2n1.
What is the InChIKey of 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol?
The InChIKey is MEAKZSRBVPDQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-4-5-25-14-17-12(16)9-13(18-14)21(20-19-9)7-6-8(22)11-10(7)23-15(2,3)24-11/h7-8,10-11,22H,4-6H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol?
6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol has a molecular weight of 366.45 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol is sourced from PubChem (CID 22268920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).