5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine

C9H10N4 — CID 142514446

IUPAC5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine
SMILESC=Cc1nc(C)c2c(cnn2C)n1
InChIInChI=1S/C9H10N4/c1-4-8-11-6(2)9-7(12-8)5-10-13(9)3/h4-5H,1H2,2-3H3
InChIKeyAHAUFIABYXJMCU-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.31
Rot. Bonds1

About 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine

5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine (PubChem CID 142514446) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine
PubChem CID142514446
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine
SMILESC=Cc1nc(C)c2c(cnn2C)n1
InChIInChI=1S/C9H10N4/c1-4-8-11-6(2)9-7(12-8)5-10-13(9)3/h4-5H,1H2,2-3H3
InChIKeyAHAUFIABYXJMCU-UHFFFAOYSA-N
XLogP1.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine
CID 163275069
7-ethenyl-1,5,6-trimethylindazole
CID 167037820
6-ethenyl-1-methyl-7-nitroindazole
CID 137443537
9-chloro-1,7-dimethylpyrazolo[4,3-b]quinoline
CID 13303048
7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole
CID 169414553
1-methylpyrazolo[4,3-b]quinolin-9-amine
CID 3547873
8-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)quinoline
CID 169418235
5-bromo-7-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine
CID 121228944
1,4,7-trimethylpyrazolo[5,4-c]pyridine
CID 153487725
1,5-dimethyl-6-propan-2-ylpyrazolo[4,5-b]pyridine
CID 176694539
1-methylpyrazolo[4,5-c]quinoline
CID 150046130
5-ethenyl-1-methylpyrazole-4-carbaldehyde
CID 121457966

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine (CID 142514446) is 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine is C=Cc1nc(C)c2c(cnn2C)n1.
What is the InChIKey of 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine?
The InChIKey is AHAUFIABYXJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-4-8-11-6(2)9-7(12-8)5-10-13(9)3/h4-5H,1H2,2-3H3.
What are the key properties of 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine?
5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine has a molecular weight of 174.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 142514446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).