1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine

C13H15N7 — CID 126900211

IUPAC1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CC(n3cccn3)C2)c2cnn(C)c2n1
InChIInChI=1S/C13H15N7/c1-9-16-12-11(6-15-18(12)2)13(17-9)19-7-10(8-19)20-5-3-4-14-20/h3-6,10H,7-8H2,1-2H3
InChIKeySKMJAFINPTVJGA-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.93
Rot. Bonds2

About 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine

1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 126900211) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID126900211
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CC(n3cccn3)C2)c2cnn(C)c2n1
InChIInChI=1S/C13H15N7/c1-9-16-12-11(6-15-18(12)2)13(17-9)19-7-10(8-19)20-5-3-4-14-20/h3-6,10H,7-8H2,1-2H3
InChIKeySKMJAFINPTVJGA-UHFFFAOYSA-N
XLogP0.93
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 126900211) is 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine is Cc1nc(N2CC(n3cccn3)C2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is SKMJAFINPTVJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-9-16-12-11(6-15-18(12)2)13(17-9)19-7-10(8-19)20-5-3-4-14-20/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine?
1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 269.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 126900211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).