4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

C9H11N5 — CID 178104944

IUPAC4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCC1CCN1c1ncnc2[nH]ncc12
InChIInChI=1S/C9H11N5/c1-6-2-3-14(6)9-7-4-12-13-8(7)10-5-11-9/h4-6H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyURQUSDHSKLNHGK-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.95
Rot. Bonds1

About 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 178104944) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID178104944
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCC1CCN1c1ncnc2[nH]ncc12
InChIInChI=1S/C9H11N5/c1-6-2-3-14(6)9-7-4-12-13-8(7)10-5-11-9/h4-6H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyURQUSDHSKLNHGK-UHFFFAOYSA-N
XLogP0.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 178104944) is 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is CC1CCN1c1ncnc2[nH]ncc12.
What is the InChIKey of 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is URQUSDHSKLNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-2-3-14(6)9-7-4-12-13-8(7)10-5-11-9/h4-6H,2-3H2,1H3,(H,10,11,12,13).
What are the key properties of 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 189.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 178104944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).