2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine

C43H61N13 — CID 158087577

IUPAC2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine
SMILESCC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccc2[nH]ncc12.CC(C)(C)c1ncccn1.CC(C)(C)c1ncnc2[nH]ncc12
InChIInChI=1S/C10H13N3.C9H12N4.3C8H12N2/c1-10(2,3)9-7-6-12-13-8(7)4-5-11-9;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7/h4-6H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);3*4-6H,1-3H3
InChIKeyFNRVBLBRWBPUQE-UHFFFAOYSA-N
MW760.05 g/mol
LogP9.23
Rot. Bonds

About 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine

2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine (PubChem CID 158087577) has the molecular formula C43H61N13 and a molecular weight of 760.05 g/mol. Its IUPAC name is 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine.

Molecular Properties

Compound Name2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine
PubChem CID158087577
Molecular FormulaC43H61N13
Molecular Weight760.05 g/mol
Exact Mass759.52
IUPAC Name2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine
SMILESCC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccc2[nH]ncc12.CC(C)(C)c1ncccn1.CC(C)(C)c1ncnc2[nH]ncc12
InChIInChI=1S/C10H13N3.C9H12N4.3C8H12N2/c1-10(2,3)9-7-6-12-13-8(7)4-5-11-9;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7/h4-6H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);3*4-6H,1-3H3
InChIKeyFNRVBLBRWBPUQE-UHFFFAOYSA-N
XLogP9.23
TPSA173.37 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500760.05
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine 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

tert-butylbenzene;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;ethane
CID 164964212
2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole
CID 157287344
2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
CID 158708538
bis(tert-butylbenzene);bis(5-tert-butyl-1H-indole);bis(6-tert-butyl-1H-indole);2-tert-butylpyrazine;3-tert-butylpyridazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butyl-1H-pyrrole
CID 157293680
tert-butylbenzene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;methane
CID 159202689
2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;cumene;ethane;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 161423252
5-tert-butyl-1-methylpyrazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;ethane;methane
CID 158312334
methanamine;1H-pyrazolo[5,4-b]pyridine
CID 143863701
4-(2-methyl-3-pyridinyl)-1H-pyrazolo[3,4-b]pyridine
CID 174693158
4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine
CID 159133633
4-tert-butylpyrido[4,3-d]pyrimidine
CID 58237685
4-[(2-methylpropan-2-yl)oxy]-1H-pyrazolo[4,5-c]pyridine
CID 170411551

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine?
The IUPAC name of 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine (CID 158087577) is 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine.
What is the SMILES notation for 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine?
The canonical SMILES for 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine is CC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccc2[nH]ncc12.CC(C)(C)c1ncccn1.CC(C)(C)c1ncnc2[nH]ncc12.
What is the InChIKey of 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine?
The InChIKey is FNRVBLBRWBPUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C9H12N4.3C8H12N2/c1-10(2,3)9-7-6-12-13-8(7)4-5-11-9;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7/h4-6H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);3*4-6H,1-3H3.
What are the key properties of 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine?
2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine has a molecular weight of 760.05 g/mol, XLogP of 9.23, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine is sourced from PubChem (CID 158087577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).