1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C12H14N8S — CID 154575866

IUPAC1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nnc(N2CC(Nc3ncnc4c3cnn4C)C2)s1
InChIInChI=1S/C12H14N8S/c1-7-17-18-12(21-7)20-4-8(5-20)16-10-9-3-15-19(2)11(9)14-6-13-10/h3,6,8H,4-5H2,1-2H3,(H,13,14,16)
InChIKeyKLDMONMOERFENA-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.82
Rot. Bonds3

About 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 154575866) has the molecular formula C12H14N8S and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID154575866
Molecular FormulaC12H14N8S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nnc(N2CC(Nc3ncnc4c3cnn4C)C2)s1
InChIInChI=1S/C12H14N8S/c1-7-17-18-12(21-7)20-4-8(5-20)16-10-9-3-15-19(2)11(9)14-6-13-10/h3,6,8H,4-5H2,1-2H3,(H,13,14,16)
InChIKeyKLDMONMOERFENA-UHFFFAOYSA-N
XLogP0.82
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 154575866) is 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nnc(N2CC(Nc3ncnc4c3cnn4C)C2)s1.
What is the InChIKey of 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KLDMONMOERFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8S/c1-7-17-18-12(21-7)20-4-8(5-20)16-10-9-3-15-19(2)11(9)14-6-13-10/h3,6,8H,4-5H2,1-2H3,(H,13,14,16).
What are the key properties of 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 302.37 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)azetidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154575866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).