ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine

C10H16N4 — CID 163275069

IUPACethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine
SMILESCC.Cc1nc(C)c2c(cnn2C)n1
InChIInChI=1S/C8H10N4.C2H6/c1-5-8-7(4-9-12(8)3)11-6(2)10-5;1-2/h4H,1-3H3;1-2H3
InChIKeyJOIZGUBXGICVIH-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.01
Rot. Bonds

About ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine

ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine (PubChem CID 163275069) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine
PubChem CID163275069
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Nameethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine
SMILESCC.Cc1nc(C)c2c(cnn2C)n1
InChIInChI=1S/C8H10N4.C2H6/c1-5-8-7(4-9-12(8)3)11-6(2)10-5;1-2/h4H,1-3H3;1-2H3
InChIKeyJOIZGUBXGICVIH-UHFFFAOYSA-N
XLogP2.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine
CID 142514446
9-chloro-1,7-dimethylpyrazolo[4,3-b]quinoline
CID 13303048
6-fluoro-1,7-dimethylindazole
CID 83381543
1-methylpyrazolo[4,3-b]quinolin-9-amine
CID 3547873
ethane;4-fluoro-1,5-dimethylpyrazole
CID 143958566
5-bromo-7-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine
CID 121228944
1,4,7-trimethylpyrazolo[5,4-c]pyridine
CID 153487725
ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 142422164
1,5-dimethyl-6-propan-2-ylpyrazolo[4,5-b]pyridine
CID 176694539
1,5-dimethylindazole;ethane
CID 90788862
2,4-dimethylfuro[3,4-d]pyrimidine
CID 89274453
1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine
CID 627434

Frequently Asked Questions

What is the IUPAC name of ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine (CID 163275069) is ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine is CC.Cc1nc(C)c2c(cnn2C)n1.
What is the InChIKey of ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine?
The InChIKey is JOIZGUBXGICVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4.C2H6/c1-5-8-7(4-9-12(8)3)11-6(2)10-5;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine?
ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine has a molecular weight of 192.27 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 163275069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).