2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole

C28H48N12 — CID 157185351

IUPAC2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1
InChIInChI=1S/C7H11N.2C6H10N2.C5H9N3.C4H8N4/c1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8)
InChIKeyAPBBCXHYLHWJGJ-UHFFFAOYSA-N
MW552.78 g/mol
LogP6.46
Rot. Bonds5

About 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 157185351) has the molecular formula C28H48N12 and a molecular weight of 552.78 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID157185351
Molecular FormulaC28H48N12
Molecular Weight552.78 g/mol
Exact Mass552.41
IUPAC Name2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1
InChIInChI=1S/C7H11N.2C6H10N2.C5H9N3.C4H8N4/c1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8)
InChIKeyAPBBCXHYLHWJGJ-UHFFFAOYSA-N
XLogP6.46
TPSA169.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.78
LogP ≤ 56.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
N-((5-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)pyridin-3-yl)methyl)ethanamine
CID 135823061
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 59757801
4-N-(4-methylcyclohexyl)-5-(1-methylpyrazol-4-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 154827137
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N6-[2-(1H-imidazol-4-yl)ethyl]-2-phenyl-pyrimidine-4,6-diamine
CID 71591854
5,10,15,20-Tetrakis(1,3-diethylimidazol-2-ylium-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 90713413
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 91447595
Tetra-imidazolyl porphyrin
CID 135536062
5'-methyl-1-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 56865326
3-(5-{2-[4-(1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1H-1,2,4-triazol-3-yl)pyridine
CID 72895123
1-(cyclopropylmethyl)-5-(1-phenyl-1H-pyrazol-5-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 136014785
N-[[5-[2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-yl]methyl]ethanamine
CID 136636138

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole (CID 157185351) is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.
What is the InChIKey of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is APBBCXHYLHWJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.2C6H10N2.C5H9N3.C4H8N4/c1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8).
What are the key properties of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 552.78 g/mol, XLogP of 6.46, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 157185351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).