4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole

C50H60N10 — CID 160634681

IUPAC4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole
SMILES[3H]c1cc(C(C)C)c2cn[nH]c2c1.[3H]c1ccc(C(C)C)c2cn[nH]c12.[3H]c1ccc2[nH]ncc2c1C(C)C.[3H]c1n[nH]c2cccc(C(C)C)c12.[3H]n1ncc2c(C(C)C)cccc21
InChIInChI=1S/5C10H12N2/c5*1-7(2)8-4-3-5-10-9(8)6-11-12-10/h5*3-7H,1-2H3,(H,11,12)/i6T;5T;4T;3T;/hT
InChIKeyRIJPICILYUWBPJ-HDBJDSNUSA-N
MW811.14 g/mol
LogP13.43
Rot. Bonds5

About 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole

4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole (PubChem CID 160634681) has the molecular formula C50H60N10 and a molecular weight of 811.14 g/mol. Its IUPAC name is 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole.

Molecular Properties

Compound Name4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole
PubChem CID160634681
Molecular FormulaC50H60N10
Molecular Weight811.14 g/mol
Exact Mass810.54
IUPAC Name4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole
SMILES[3H]c1cc(C(C)C)c2cn[nH]c2c1.[3H]c1ccc(C(C)C)c2cn[nH]c12.[3H]c1ccc2[nH]ncc2c1C(C)C.[3H]c1n[nH]c2cccc(C(C)C)c12.[3H]n1ncc2c(C(C)C)cccc21
InChIInChI=1S/5C10H12N2/c5*1-7(2)8-4-3-5-10-9(8)6-11-12-10/h5*3-7H,1-2H3,(H,11,12)/i6T;5T;4T;3T;/hT
InChIKeyRIJPICILYUWBPJ-HDBJDSNUSA-N
XLogP13.43
TPSA143.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.14
LogP ≤ 513.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole with MolForge

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Related Compounds

CID 159483552
CID 159483552
4-tert-butyl-5-chloro-1H-indazole;bis(4-tert-butyl-5,6-dimethyl-1H-indazole);4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-(trifluoromethyl)-1H-indazole
CID 159495345
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
CID 139065503
CID 139065503
CID 139065798
CID 139065798
cyclo-Tris(mu~2~-3-phenyl-1H-pyrazole)tricopper(I)
CID 139069871
Dibromidotetrakis(1H-indazole-kappaN^2^)copper(II)
CID 139074170
copper;tetrakis(1H-benzo[g]indazole);dinitrate
CID 168338637
2-(4-Fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine
CID 154705912
3-phenyl-6-[4-(3-phenyl-1H-indazol-6-yl)-2,5-dipropylphenyl]-1H-indazole
CID 59181226
4-cyclopentyl-3-ethyl-6-(1H-pyrazol-5-yl)-2H-indazole
CID 69556047
2-aminoethyl-bis[[5-(1H-indazol-4-yl)-1H-pyrazol-4-yl]methyl]-methylazanium;N'-methylethane-1,2-diamine
CID 90463218

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole?
The IUPAC name of 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole (CID 160634681) is 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole.
What is the SMILES notation for 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole?
The canonical SMILES for 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole is [3H]c1cc(C(C)C)c2cn[nH]c2c1.[3H]c1ccc(C(C)C)c2cn[nH]c12.[3H]c1ccc2[nH]ncc2c1C(C)C.[3H]c1n[nH]c2cccc(C(C)C)c12.[3H]n1ncc2c(C(C)C)cccc21.
What is the InChIKey of 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole?
The InChIKey is RIJPICILYUWBPJ-HDBJDSNUSA-N. The full InChI is InChI=1S/5C10H12N2/c5*1-7(2)8-4-3-5-10-9(8)6-11-12-10/h5*3-7H,1-2H3,(H,11,12)/i6T;5T;4T;3T;/hT.
What are the key properties of 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole?
4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole has a molecular weight of 811.14 g/mol, XLogP of 13.43, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-tritioindazole;4-propan-2-yl-3-tritio-1H-indazole;4-propan-2-yl-5-tritio-1H-indazole;4-propan-2-yl-6-tritio-1H-indazole;4-propan-2-yl-7-tritio-1H-indazole is sourced from PubChem (CID 160634681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).