3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one

C9H6BrN5O — CID 137093046

IUPAC3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccc3n[nH]c(Br)c3c2)[nH]1
InChIInChI=1S/C9H6BrN5O/c10-7-5-3-4(1-2-6(5)12-13-7)8-11-9(16)15-14-8/h1-3H,(H,12,13)(H2,11,14,15,16)
InChIKeyUMQBXZFUIZYZRL-UHFFFAOYSA-N
MW280.09 g/mol
LogP1.40
Rot. Bonds1

About 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one

3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137093046) has the molecular formula C9H6BrN5O and a molecular weight of 280.09 g/mol. Its IUPAC name is 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137093046
Molecular FormulaC9H6BrN5O
Molecular Weight280.09 g/mol
Exact Mass278.98
IUPAC Name3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccc3n[nH]c(Br)c3c2)[nH]1
InChIInChI=1S/C9H6BrN5O/c10-7-5-3-4(1-2-6(5)12-13-7)8-11-9(16)15-14-8/h1-3H,(H,12,13)(H2,11,14,15,16)
InChIKeyUMQBXZFUIZYZRL-UHFFFAOYSA-N
XLogP1.40
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957065
4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)benzaldehyde
CID 136966049
3-bromo-N-methyl-2H-indazol-5-amine
CID 142979662
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
(3-bromo-2H-indazol-5-yl)methanol
CID 84690914
3-(3,5-dichlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136888745
3-bromo-5-propyl-2H-indazole
CID 114589273
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
CID 159473762
3-(3-bromo-2H-indazol-5-yl)propan-1-ol
CID 117390333
1-(3-bromo-2H-indazol-5-yl)-N-methoxymethanamine
CID 117393227
1-(3-bromo-2H-indazol-5-yl)cyclopentane-1-carboxylic acid
CID 117493866

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one (CID 137093046) is 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccc3n[nH]c(Br)c3c2)[nH]1.
What is the InChIKey of 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is UMQBXZFUIZYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5O/c10-7-5-3-4(1-2-6(5)12-13-7)8-11-9(16)15-14-8/h1-3H,(H,12,13)(H2,11,14,15,16).
What are the key properties of 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 280.09 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2H-indazol-5-yl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137093046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).