1,3,4-triethylpyrazolo[3,4-d]pyrimidine

C11H16N4 — CID 66693343

IUPAC1,3,4-triethylpyrazolo[3,4-d]pyrimidine
SMILESCCc1ncnc2c1c(CC)nn2CC
InChIInChI=1S/C11H16N4/c1-4-8-10-9(5-2)14-15(6-3)11(10)13-7-12-8/h7H,4-6H2,1-3H3
InChIKeyKFQJBCHOCVYDCA-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.97
Rot. Bonds3

About 1,3,4-triethylpyrazolo[3,4-d]pyrimidine

1,3,4-triethylpyrazolo[3,4-d]pyrimidine (PubChem CID 66693343) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1,3,4-triethylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1,3,4-triethylpyrazolo[3,4-d]pyrimidine
PubChem CID66693343
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1,3,4-triethylpyrazolo[3,4-d]pyrimidine
SMILESCCc1ncnc2c1c(CC)nn2CC
InChIInChI=1S/C11H16N4/c1-4-8-10-9(5-2)14-15(6-3)11(10)13-7-12-8/h7H,4-6H2,1-3H3
InChIKeyKFQJBCHOCVYDCA-UHFFFAOYSA-N
XLogP1.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ametoctradin
CID 15604010
Bumepidil
CID 68813
1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
2,3,6-Trimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201421
4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine
CID 91799414
N-methyl-1-(piperidin-3-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68212528
N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 70681768
4-N-butyl-6-methyl-5-[3-(1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271031
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56778068
3-Ethyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671184
7-Methyl-3-propyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671185
7-Methyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671186

Frequently Asked Questions

What is the IUPAC name of 1,3,4-triethylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1,3,4-triethylpyrazolo[3,4-d]pyrimidine (CID 66693343) is 1,3,4-triethylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1,3,4-triethylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1,3,4-triethylpyrazolo[3,4-d]pyrimidine is CCc1ncnc2c1c(CC)nn2CC.
What is the InChIKey of 1,3,4-triethylpyrazolo[3,4-d]pyrimidine?
The InChIKey is KFQJBCHOCVYDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-8-10-9(5-2)14-15(6-3)11(10)13-7-12-8/h7H,4-6H2,1-3H3.
What are the key properties of 1,3,4-triethylpyrazolo[3,4-d]pyrimidine?
1,3,4-triethylpyrazolo[3,4-d]pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triethylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 66693343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).