ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine

C8H12N4 — CID 143903022

IUPACethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine
SMILESCC.Cc1[nH]nc2cncnc12
InChIInChI=1S/C6H6N4.C2H6/c1-4-6-5(10-9-4)2-7-3-8-6;1-2/h2-3H,1H3,(H,9,10);1-2H3
InChIKeyDAUVQZOTWRVOGM-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.69
Rot. Bonds

About ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine

ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 143903022) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID143903022
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Nameethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine
SMILESCC.Cc1[nH]nc2cncnc12
InChIInChI=1S/C6H6N4.C2H6/c1-4-6-5(10-9-4)2-7-3-8-6;1-2/h2-3H,1H3,(H,9,10);1-2H3
InChIKeyDAUVQZOTWRVOGM-UHFFFAOYSA-N
XLogP1.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-2H-pyrazolo[4,3-d]pyrimidine
CID 66721532
2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine
CID 82594672
6-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine
CID 70437765
3-iodo-2H-pyrazolo[4,3-d]pyrimidine;pyrrolidine-2,5-dione
CID 160971007
3-methyl-2H-pyrazolo[4,3-d]pyrimidine-5-carbaldehyde
CID 169168986
3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine
CID 166898336
3-methyl-2H-pyrazolo[3,4-d]pyrimidine;molecular hydrogen
CID 145480449
3-methyl-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 84717839
2-(2H-pyrazolo[4,3-d]pyrimidin-3-ylmethoxy)propane-1,3-diol
CID 10198415
3,6-dimethyl-2H-pyrazolo[4,3-c]pyridine
CID 58047438
7-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 58957259
4-ethenyl-3-methyl-2H-pyrazolo[3,4-c]pyridine
CID 167523031

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine (CID 143903022) is ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine is CC.Cc1[nH]nc2cncnc12.
What is the InChIKey of ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is DAUVQZOTWRVOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.C2H6/c1-4-6-5(10-9-4)2-7-3-8-6;1-2/h2-3H,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine?
ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 143903022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).