1H-pyrazolo[4,3-d]pyrimidine

C5H4N4 — CID 21083976

IUPAC1H-pyrazolo[4,3-d]pyrimidine
SMILESc1ncc2[nH]ncc2n1
InChIInChI=1S/C5H4N4/c1-5-4(2-8-9-5)7-3-6-1/h1-3H,(H,8,9)
InChIKeyAPXRHPDHORGIEB-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.35
Rot. Bonds

About 1H-pyrazolo[4,3-d]pyrimidine

1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 21083976) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name1H-pyrazolo[4,3-d]pyrimidine
PubChem CID21083976
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name1H-pyrazolo[4,3-d]pyrimidine
SMILESc1ncc2[nH]ncc2n1
InChIInChI=1S/C5H4N4/c1-5-4(2-8-9-5)7-3-6-1/h1-3H,(H,8,9)
InChIKeyAPXRHPDHORGIEB-UHFFFAOYSA-N
XLogP0.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazo[4,5-d]pyridazine
CID 5370875
1H-imidazo[4,5-d]pyridazin-4-amine
CID 5469585
1H-Pyrazolo(4,3-d)pyrimidin-7-amine
CID 96600
1H-Imidazo(4,5-d)pyridazin-2-amine
CID 6400641
7-Chloro-1-methyl-1H-pyrazolo(4,3-d)pyrimidine
CID 44558545
1-methyl-1H-pyrazolo(4,3-d)pyrimidin-7-amine
CID 45080196
3-Methyl-1H-pyrazolo[4,3-b]pyrazine
CID 57415857
5,7-dichloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine
CID 57415862
5-Chloro-1H-pyrazolo(4,3-d)pyrimidine
CID 59796947
7-Chloro-1H-pyrazolo(4,3-d)pyrimidine
CID 66570657
3-Iodo-1H-pyrazolo[4,3-D]pyrimidin-7-amine
CID 68516655
5-chloro-3-iodo-1H-pyrazolo(4,3-d)pyrimidine
CID 92133838

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 1H-pyrazolo[4,3-d]pyrimidine (CID 21083976) is 1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 1H-pyrazolo[4,3-d]pyrimidine is c1ncc2[nH]ncc2n1.
What is the InChIKey of 1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is APXRHPDHORGIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-5-4(2-8-9-5)7-3-6-1/h1-3H,(H,8,9).
What are the key properties of 1H-pyrazolo[4,3-d]pyrimidine?
1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 120.11 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 21083976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).