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

C8H9N5 — CID 131087765

IUPAC4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1nc(N2CCC2)c2cn[nH]c2n1
InChIInChI=1S/C8H9N5/c1-2-13(3-1)8-6-4-11-12-7(6)9-5-10-8/h4-5H,1-3H2,(H,9,10,11,12)
InChIKeyZDYSMJHHACHJOB-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.56
Rot. Bonds1

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

4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 131087765) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID131087765
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1nc(N2CCC2)c2cn[nH]c2n1
InChIInChI=1S/C8H9N5/c1-2-13(3-1)8-6-4-11-12-7(6)9-5-10-8/h4-5H,1-3H2,(H,9,10,11,12)
InChIKeyZDYSMJHHACHJOB-UHFFFAOYSA-N
XLogP0.56
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
CID 131907638
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
6-bromo-2-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 167786067
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163344597
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 131087765) is 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is c1nc(N2CCC2)c2cn[nH]c2n1.
What is the InChIKey of 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is ZDYSMJHHACHJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-13(3-1)8-6-4-11-12-7(6)9-5-10-8/h4-5H,1-3H2,(H,9,10,11,12).
What are the key properties of 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 175.20 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 131087765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).