1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide

C15H11Br2N5O2S — CID 55882084

IUPAC1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(Br)s2)nnn1-c1cccc(Br)c1
InChIInChI=1S/C15H11Br2N5O2S/c1-8-13(18-21-22(8)10-4-2-3-9(16)7-10)15(24)20-19-14(23)11-5-6-12(17)25-11/h2-7H,1H3,(H,19,23)(H,20,24)
InChIKeyOWFLAWQRGQLAAR-UHFFFAOYSA-N
MW485.16 g/mol
LogP3.24
Rot. Bonds3

About 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide

1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide (PubChem CID 55882084) has the molecular formula C15H11Br2N5O2S and a molecular weight of 485.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide
PubChem CID55882084
Molecular FormulaC15H11Br2N5O2S
Molecular Weight485.16 g/mol
Exact Mass482.90
IUPAC Name1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(Br)s2)nnn1-c1cccc(Br)c1
InChIInChI=1S/C15H11Br2N5O2S/c1-8-13(18-21-22(8)10-4-2-3-9(16)7-10)15(24)20-19-14(23)11-5-6-12(17)25-11/h2-7H,1H3,(H,19,23)(H,20,24)
InChIKeyOWFLAWQRGQLAAR-UHFFFAOYSA-N
XLogP3.24
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.16
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-N-tert-butyl-5-methyltriazole-4-carboxamide
CID 47299654
[4-[1-(3-bromophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976623
1-(3-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyltriazole-4-carboxamide
CID 55874451
1-(3-bromophenyl)-N-(dicyclopropylmethyl)-5-methyltriazole-4-carboxamide
CID 87024267
1-(3-bromophenyl)-5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)triazole-4-carbohydrazide
CID 55871636
1-(3-bromophenyl)-N-(3-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 99813025
1-(3-bromophenyl)-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 60527351
1-(3-bromophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)triazole-4-carboxamide
CID 55870754
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560541
N-(3-anilinopropyl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide
CID 56586626
1-(3-bromophenyl)-N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-5-methyltriazole-4-carboxamide
CID 56571557
1-(3-bromophenyl)-5-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]triazole-4-carboxamide
CID 55871898

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide?
The IUPAC name of 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide (CID 55882084) is 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide.
What is the SMILES notation for 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide?
The canonical SMILES for 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccc(Br)s2)nnn1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide?
The InChIKey is OWFLAWQRGQLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N5O2S/c1-8-13(18-21-22(8)10-4-2-3-9(16)7-10)15(24)20-19-14(23)11-5-6-12(17)25-11/h2-7H,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide?
1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide has a molecular weight of 485.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-(5-bromothiophene-2-carbonyl)-5-methyltriazole-4-carbohydrazide is sourced from PubChem (CID 55882084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).