1H-pyrazolo[4,3-d]pyrimidin-3-amine

C5H5N5 — CID 66680904

IUPAC1H-pyrazolo[4,3-d]pyrimidin-3-amine
SMILESNc1n[nH]c2cncnc12
InChIInChI=1S/C5H5N5/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H,(H3,6,9,10)
InChIKeyAVFCGLFLHBWEET-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.06
Rot. Bonds

About 1H-pyrazolo[4,3-d]pyrimidin-3-amine

1H-pyrazolo[4,3-d]pyrimidin-3-amine (PubChem CID 66680904) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 1H-pyrazolo[4,3-d]pyrimidin-3-amine.

Molecular Properties

Compound Name1H-pyrazolo[4,3-d]pyrimidin-3-amine
PubChem CID66680904
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name1H-pyrazolo[4,3-d]pyrimidin-3-amine
SMILESNc1n[nH]c2cncnc12
InChIInChI=1S/C5H5N5/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H,(H3,6,9,10)
InChIKeyAVFCGLFLHBWEET-UHFFFAOYSA-N
XLogP-0.06
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazo(4,5-d)pyridazine-4,7-diamine
CID 5355150
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
1-methyl-1H-pyrazolo(4,3-d)pyrimidin-7-amine
CID 45080196
3-Methyl-1H-pyrazolo[4,3-b]pyrazine
CID 57415857
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
3-Methylpyrazino(2,3-d)(1,2,4)triazolo(4,3-b)pyridazin-6(5H)-imine
CID 339565

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[4,3-d]pyrimidin-3-amine?
The IUPAC name of 1H-pyrazolo[4,3-d]pyrimidin-3-amine (CID 66680904) is 1H-pyrazolo[4,3-d]pyrimidin-3-amine.
What is the SMILES notation for 1H-pyrazolo[4,3-d]pyrimidin-3-amine?
The canonical SMILES for 1H-pyrazolo[4,3-d]pyrimidin-3-amine is Nc1n[nH]c2cncnc12.
What is the InChIKey of 1H-pyrazolo[4,3-d]pyrimidin-3-amine?
The InChIKey is AVFCGLFLHBWEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-5-4-3(9-10-5)1-7-2-8-4/h1-2H,(H3,6,9,10).
What are the key properties of 1H-pyrazolo[4,3-d]pyrimidin-3-amine?
1H-pyrazolo[4,3-d]pyrimidin-3-amine has a molecular weight of 135.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[4,3-d]pyrimidin-3-amine is sourced from PubChem (CID 66680904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).